data_1wik_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 1wik _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 ' 8' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 10.7 mt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.63 -48.99 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 14' ' ' LYS . 8.4 p -53.21 -48.48 54.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.589 ' CD1' ' CZ ' ' A' ' 50' ' ' PHE . 1.6 mt -54.2 -55.43 28.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.8 p -63.95 -16.79 62.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -115.18 25.93 10.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 10' ' ' VAL . 13.1 ttpt -78.69 -57.2 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.59 152.81 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 m -40.64 -52.91 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 91.4 t -118.32 112.87 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -99.02 141.03 32.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.48 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.5 tm? -139.81 104.96 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.603 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 44.6 m-85 -95.26 127.2 41.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.9 ptm -161.54 169.63 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 1.5 ptmm? -86.55 113.44 22.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.84 -31.88 6.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.485 HD22 ' N ' ' A' ' 51' ' ' ASP . 1.5 m-20 56.0 171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -38.99 -30.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 24' ' ' ASN . 46.4 mm-40 -55.33 -63.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -114.19 145.54 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -69.7 -32.83 71.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.2 mm100 -48.18 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' A' ' 37' ' ' LEU . 10.1 tt -39.36 -49.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 36' ' ' ILE . 6.7 mp -51.67 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -38.69 -38.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.475 ' CG2' ' HE3' ' A' ' 91' ' ' LYS . 28.6 mt -73.47 -50.55 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 HD11 ' CG ' ' A' ' 19' ' ' LEU . 1.1 mt -55.93 -24.59 38.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -93.1 -50.45 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.5 m -44.04 -32.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.6 p -55.88 -47.14 77.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.401 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.11 -8.55 42.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' HD23 ' A' ' 97' ' ' LEU . 16.7 m -75.6 -171.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -107.31 134.52 50.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.467 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 15.3 p90 -150.95 174.68 12.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -147.91 173.08 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.2 p -127.37 164.52 21.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.589 ' CZ ' ' CD1' ' A' ' 11' ' ' LEU . 74.8 t80 -146.27 162.73 37.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' N ' HD22 ' A' ' 24' ' ' ASN . 1.3 p30 -96.33 129.19 43.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.41 -18.83 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 22' ' ' LYS . 4.5 mt -82.52 -63.73 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.36 -44.79 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.09 80.12 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.1 -52.86 57.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -40.74 -47.53 2.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 62' ' ' LEU . 87.5 t -63.99 -45.44 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -40.21 -66.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -74.12 -30.97 62.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -60.33 -28.63 67.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' VAL . 6.8 mt -86.03 -59.0 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.93 -39.09 39.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 m -71.03 -23.62 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.1 t80 -88.94 -50.12 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -30.21 52.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 63' ' ' LYS . 8.2 t-20 74.22 33.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.439 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 18.2 t-105 -147.64 83.36 7.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 107.997 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.43 8.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -84.45 62.6 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.386 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.449 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.7 m-85 -52.45 165.04 0.56 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.02 -174.64 14.5 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.957 0.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 18.6 mt-30 -141.51 137.66 32.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 75' ' ' TYR . 3.3 tp -114.16 133.53 55.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.412 ' N ' HD13 ' A' ' 74' ' ' LEU . 72.4 m-85 -118.88 127.45 53.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.2 t -79.05 -61.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.19 -166.01 33.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 86' ' ' ILE . . . -101.73 -179.09 28.13 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -41.78 -59.83 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -43.1 -42.5 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -73.44 -63.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.8 t -41.93 -62.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -45.46 15.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -46.48 -61.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.12 -62.44 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HE3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -43.2 -58.92 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.85 -56.35 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -54.55 -41.57 69.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.82 39.69 2.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -141.3 49.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.482 ' CD2' HD23 ' A' ' 100' ' ' LEU . 6.0 tp -119.71 -40.21 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.627 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tm? -53.76 -45.31 98.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.98 -16.47 20.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.3 mm -87.38 -35.25 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -76.18 -54.87 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -47.64 -36.2 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.458 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 2.7 p -69.91 -37.53 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.631 ' CD1' ' CZ ' ' A' ' 50' ' ' PHE . 1.4 mt -61.77 -40.1 93.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 9' ' ' LYS . 78.9 p -71.18 -32.97 69.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.544 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 24.5 p30 -101.46 19.71 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -64.32 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.62 164.6 13.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -63.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.424 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 56.8 t -108.96 111.29 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.523 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.82 138.15 32.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.481 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.9 tm? -139.16 104.66 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.524 ' CE2' HD13 ' A' ' 62' ' ' LEU . 84.5 m-85 -94.21 124.93 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 3.9 ptm -159.86 173.44 15.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -91.48 116.51 28.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.59 -28.02 7.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.44 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 56.68 164.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.24 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -40.61 -29.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.44 ' N ' ' C ' ' A' ' 24' ' ' ASN . 73.4 mm-40 -55.29 -63.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.03 140.3 49.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.47 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 14.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HB2' ' CB ' ' A' ' 28' ' ' ALA . 8.2 tttp -84.0 -41.08 17.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -71.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.45 ' CD1' HD23 ' A' ' 19' ' ' LEU . 7.7 tt -42.09 -44.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 HD23 ' CG2' ' A' ' 49' ' ' THR . 6.1 mt -59.93 -57.72 11.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.5 -37.38 17.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 10.2 mt -75.73 -48.73 28.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD11 ' CG ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -54.12 -25.1 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.53 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 3.3 m-20 -86.82 -35.78 18.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.7 -44.71 58.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.2 p -50.43 -30.8 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.1 -2.99 67.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.4 m -75.27 -172.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.9 126.65 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.544 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 25.2 p90 -143.6 177.44 8.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -158.61 -178.25 7.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.47 ' CG2' HD23 ' A' ' 37' ' ' LEU . 34.2 p -137.28 166.13 24.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.631 ' CZ ' ' CD1' ' A' ' 11' ' ' LEU . 82.4 t80 -148.08 163.52 36.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.524 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -94.87 124.48 38.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.485 HD13 ' CE2' ' A' ' 71' ' ' TYR . 1.1 pp -101.01 -10.79 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 22' ' ' LYS . 5.1 mt -90.26 -68.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -38.69 -40.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 95.89 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.37 -49.7 46.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -43.54 -54.45 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.46 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 78.9 t -56.0 -42.87 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.4 ttt-85 -59.25 -56.34 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -67.02 -12.12 58.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.31 -45.22 4.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.524 HD13 ' CE2' ' A' ' 20' ' ' PHE . 17.3 mt -67.04 -56.08 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.97 -36.73 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.3 m -77.43 -56.86 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -37.61 -47.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 1.3 t -95.7 -29.34 14.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 66' ' ' SER . 49.1 t30 79.48 36.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.357 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.431 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 1.8 t-105 -147.34 92.33 4.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.61 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.421 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 3.0 m -40.77 98.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.485 ' CE2' HD13 ' A' ' 52' ' ' ILE . 13.6 m-85 -85.84 162.87 45.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -75.0 -173.35 12.17 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.06 -2.475 . . . . 0.0 111.02 0.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 0.5 OUTLIER -145.06 126.31 14.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 HD21 ' CG1' ' A' ' 81' ' ' VAL . 1.6 tp -103.43 138.08 40.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -128.22 132.1 48.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.449 ' CG1' HD21 ' A' ' 74' ' ' LEU . 84.9 t -73.01 -63.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.07 -163.4 30.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.71 172.06 43.94 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.433 HD22 ' CB ' ' A' ' 36' ' ' ILE . 1.4 tm? -44.49 -53.08 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -48.62 -47.66 39.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 mt -65.76 -58.64 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 83.0 t -45.3 -60.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -45.89 46.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -46.76 -64.37 0.79 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -51.16 -63.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.468 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -42.75 -47.86 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -54.87 -54.98 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.81 -35.64 77.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.63 43.02 2.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -142.95 52.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.491 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 5.8 tp -124.39 -42.67 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tm? -54.39 -45.16 99.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.06 -17.53 19.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.6 mm -87.7 -32.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.491 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -77.46 -55.09 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -32.74 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 p -74.94 -38.62 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.621 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -60.59 -39.42 88.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -76.88 0.39 21.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -138.5 25.23 2.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -61.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.68 169.75 8.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.45 -49.03 71.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 66.5 t -122.79 113.09 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.34 142.13 27.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 40' ' ' LEU . 1.7 tm? -143.39 106.16 4.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 80.7 m-85 -97.98 118.09 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -145.32 178.73 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -114.99 116.27 28.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.25 -13.46 4.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.18 160.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 0.6 OUTLIER -60.81 -33.96 73.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -41.02 -47.39 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -163.48 114.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.9 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -79.78 -55.45 4.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -44.64 -69.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.41 ' N ' HD23 ' A' ' 84' ' ' LEU . 4.6 tt -41.36 -42.89 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.401 HD22 ' CG ' ' A' ' 25' ' ' LYS . 5.6 mt -63.19 -50.33 70.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -39.24 62.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.1 mt -77.93 -48.57 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -50.23 -27.5 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.423 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 9.4 m-20 -85.56 -48.04 9.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.38 -51.59 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.5 p -39.58 -39.26 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.77 -13.9 61.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.28 -171.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.07 131.36 51.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.437 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 16.6 p90 -145.0 177.22 8.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -147.02 179.77 7.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.459 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 1.9 p -140.83 142.22 34.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.445 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 58.7 t80 -130.0 130.29 44.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -70.97 131.91 44.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.67 -8.96 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 22' ' ' LYS . 14.1 mt -82.69 -67.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.5 -55.33 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.11 113.96 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -88.09 -46.19 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -47.08 -43.2 19.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.4 t -71.93 -32.69 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -61.14 -70.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 17.5 pt20 -57.75 -48.39 79.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' A' ' 60' ' ' GLN . . . -52.4 -24.9 18.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' PHE . 6.4 mt -79.96 -69.53 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -33.48 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -74.24 -29.21 61.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -89.32 -61.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.3 t -62.06 -29.57 70.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 73.51 33.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.548 ' CG ' ' OE1' ' A' ' 73' ' ' GLN . 6.9 t-105 -147.96 89.92 5.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 p -49.37 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.454 ' CB ' ' HA ' ' A' ' 72' ' ' PRO . 1.6 m-85 -95.76 165.34 16.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HA ' ' CB ' ' A' ' 71' ' ' TYR . 18.5 Cg_endo -74.98 -173.97 13.27 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.005 -0.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.548 ' OE1' ' CG ' ' A' ' 68' ' ' TRP . 3.5 mt-30 -138.37 137.98 37.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -101.31 131.98 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.562 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 28.9 m-85 -127.33 132.26 50.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 75' ' ' TYR . 4.9 tt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -53.87 -57.9 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.441 ' N ' HD21 ' A' ' 80' ' ' LEU . . . 147.37 -177.49 25.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.79 -157.16 4.6 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.418 ' C ' ' CD1' ' A' ' 84' ' ' LEU . 1.2 tm? -69.9 -50.37 42.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.7 -35.24 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.457 ' CG2' HD12 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -77.56 -63.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.414 ' N ' HG22 ' A' ' 86' ' ' ILE . 40.1 t -44.28 -59.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.69 -57.43 3.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -46.45 -66.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.457 HD12 ' CG2' ' A' ' 86' ' ' ILE . 1.4 mt -42.04 -55.7 3.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -51.21 -50.02 59.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -49.69 46.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.34 -47.73 82.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.06 33.17 2.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -135.11 58.17 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.2 tp -120.67 -42.96 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tm? -53.92 -45.8 98.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.98 -17.18 19.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 mm -86.71 -36.65 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.486 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -74.41 -54.3 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.476 HD11 ' CG1' ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -43.61 -48.94 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' LYS . 71.0 t -62.06 -38.5 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.65 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 5.5 mt -63.49 -58.17 7.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.0 p -61.75 -19.24 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 9' ' ' LYS . 77.8 m-20 -117.72 27.77 8.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.99 -62.75 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.62 153.63 24.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -43.89 -42.18 5.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -121.97 112.3 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.534 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -100.72 134.68 43.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.481 ' CG ' HD13 ' A' ' 40' ' ' LEU . 1.7 tm? -133.23 104.49 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CE2' HD11 ' A' ' 62' ' ' LEU . 89.8 m-85 -94.45 107.29 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.491 ' CE ' ' HA ' ' A' ' 28' ' ' ALA . 9.8 ptm -129.55 170.61 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -96.07 116.52 29.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.27 48.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m120 61.57 -175.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.522 ' CD ' ' CG2' ' A' ' 49' ' ' THR . 0.0 OUTLIER -50.18 -43.93 52.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -46.26 -26.89 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.29 -165.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.491 ' HA ' ' CE ' ' A' ' 21' ' ' MET . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.427 ' CB ' ' HE3' ' A' ' 21' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HD2' ' CB ' ' A' ' 28' ' ' ALA . 11.3 tptt -81.86 -50.35 9.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -49.84 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 tt -41.12 -43.06 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.4 mt -63.32 -55.78 21.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' SER . 3.8 mm-40 -44.1 -46.9 8.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 6.5 mt -70.47 -49.07 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD13 ' CG ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.28 -27.46 35.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 t30 -93.69 -34.47 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.437 ' HB3' ' CE ' ' A' ' 91' ' ' LYS . 9.9 t -56.77 -26.4 57.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 p -63.19 -45.0 93.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.58 -1.31 63.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG1' ' CD2' ' A' ' 97' ' ' LEU . 11.1 m -81.78 -168.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.85 132.22 51.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -149.93 167.8 25.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -141.7 175.12 9.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.522 ' CG2' ' CD ' ' A' ' 25' ' ' LYS . 73.2 p -135.04 162.07 33.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.65 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 73.7 t80 -136.4 167.47 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -97.32 117.07 30.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -99.39 -10.33 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 28.0 mt -89.3 -68.86 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.13 -62.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.36 107.47 15.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.01 -50.92 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -43.83 -43.3 6.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.476 ' CG1' HD11 ' A' ' 8' ' ' LEU . 58.2 t -75.95 -46.35 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' VAL . 44.5 ttp180 -38.35 -69.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' LYS . 3.0 pt20 -70.36 -36.04 73.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.32 -11.29 32.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.572 HD11 ' CE2' ' A' ' 20' ' ' PHE . 2.4 mt -90.44 -41.6 11.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 1.6 ptpt -57.82 -31.06 66.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 18.3 m -82.14 -11.52 58.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 28.9 t80 -63.73 -59.24 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 m -122.44 20.6 10.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 17.5 t-20 55.96 42.86 28.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.514 ' CD1' ' O ' ' A' ' 70' ' ' THR . 69.8 t-105 -127.15 82.48 68.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.415 ' CA ' ' HB2' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -74.91 0.83 8.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 21.7 m -89.57 143.73 26.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.511 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 23.9 m-85 -144.85 152.6 52.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.99 168.34 77.74 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.006 -0.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' CB ' ' CD1' ' A' ' 68' ' ' TRP . 1.7 pt20 -125.39 -179.11 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -135.14 134.13 39.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -123.61 128.32 49.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.438 ' CG2' HG21 ' A' ' 81' ' ' VAL . 74.4 t . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.438 HG21 ' CG2' ' A' ' 76' ' ' VAL . 30.0 t -96.62 -55.96 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.72 -160.38 31.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.92 -156.65 25.24 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.76 -61.08 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -42.24 -40.79 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.32 -67.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 74' ' ' LEU . 79.0 t -41.19 -55.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -45.77 62.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -49.95 -69.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.431 ' CB ' HD12 ' A' ' 96' ' ' LEU . 3.0 mm? -42.86 -54.83 3.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.467 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -53.71 -45.35 70.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.42 -61.13 2.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -49.9 -39.83 41.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.21 45.0 1.78 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -145.76 49.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 4.2 tp -120.16 -41.93 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.624 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tm? -55.86 -45.64 99.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -75.01 -29.71 7.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.0 mm -74.78 -33.47 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.499 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -76.23 -61.02 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.454 ' HE3' ' CG1' ' A' ' 45' ' ' VAL . 1.7 mmpt? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -49.14 -46.94 45.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.3 p -57.29 -45.24 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 50' ' ' PHE . 2.4 mt -50.8 -58.28 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.0 p -58.55 -16.07 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -116.63 21.13 13.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -72.49 -58.46 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.42 161.98 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -50.08 -48.13 53.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.2 t -121.51 109.11 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.569 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.08 132.82 39.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.483 HD12 ' CG2' ' A' ' 36' ' ' ILE . 1.2 tm? -131.98 104.75 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 96.4 m-85 -92.82 118.9 31.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.434 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 28.2 ptm -145.29 178.41 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -98.44 111.24 23.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.79 -18.35 26.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.3 m120 61.41 170.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -39.78 -30.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASN . 44.3 mm-40 -51.19 -50.1 59.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.73 147.96 31.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HA ' ' CE ' ' A' ' 21' ' ' MET . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.409 ' CB ' ' HE1' ' A' ' 21' ' ' MET . 1.4 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -79.98 -39.73 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -46.55 -63.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.483 ' CG2' HD12 ' A' ' 19' ' ' LEU . 6.9 tt -42.64 -52.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.48 HD11 ' CG2' ' A' ' 36' ' ' ILE . 7.1 mp -49.56 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.26 -37.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.431 HD13 ' CD2' ' A' ' 84' ' ' LEU . 37.8 mt -76.62 -54.71 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD12 ' CG ' ' A' ' 19' ' ' LEU . 1.1 mt -54.41 -28.57 44.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.167 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -81.26 -37.82 27.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -44.89 39.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 31.8 p -56.24 -23.24 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.06 19.82 32.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.439 ' CG1' ' HE3' ' A' ' 101' ' ' LYS . 21.0 m -94.28 175.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -66.66 126.79 30.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.558 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 10.8 p90 -151.1 -179.78 7.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.88 177.02 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 2.5 p -134.09 153.4 51.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CD1' HD21 ' A' ' 11' ' ' LEU . 59.6 t80 -133.91 162.43 32.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -102.13 126.39 49.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -99.14 -12.12 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.414 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -77.24 -70.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -41.05 -90.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.91 94.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.0 -52.32 20.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -44.33 -52.21 7.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.469 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 92.7 t -58.01 -38.23 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -59.8 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -68.95 -28.42 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 60' ' ' GLN . . . -72.15 -33.92 61.77 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' CD2' HD23 ' A' ' 8' ' ' LEU . 6.3 mt -73.38 -62.82 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.69 -44.08 13.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -67.25 -38.43 85.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CD1' HD22 ' A' ' 8' ' ' LEU . 5.5 t80 -43.07 -55.03 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.0 m -118.5 23.5 11.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LYS . 14.3 t-20 40.42 35.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CD1' ' NE2' ' A' ' 73' ' ' GLN . 2.3 t-105 -128.12 88.08 53.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.79 2.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.415 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 8.2 m -38.63 118.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.471 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.6 m-85 -117.56 162.5 28.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -74.98 -176.04 17.26 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.019 -0.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.558 ' NE2' ' CD1' ' A' ' 68' ' ' TRP . 2.1 mt-30 -143.7 133.48 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.3 tp -98.18 127.08 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.414 ' N ' HD12 ' A' ' 74' ' ' LEU . 38.5 m-85 -120.7 129.01 53.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.0 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.74 -66.69 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.98 -156.68 26.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.87 -175.36 44.13 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 39' ' ' ILE . 1.8 tm? -50.94 -54.93 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -47.4 -45.48 25.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -63.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -40.47 -57.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -51.78 53.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -42.75 -47.85 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.67 -46.61 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -57.41 12.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -48.67 -53.09 20.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -58.67 -52.93 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.52 35.2 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.5 51.69 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 6.0 tp -124.95 -49.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.9 -46.35 97.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.04 -13.73 21.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.4 mm -89.76 -43.23 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -69.99 -48.67 57.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.439 ' HE3' ' CG1' ' A' ' 45' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 16.0 mt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.3 ptpt -45.22 -50.96 11.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.6 p -52.18 -46.61 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.646 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 2.4 mt -58.69 -57.85 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -61.66 -19.54 62.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LYS . 77.5 m-20 -117.01 30.43 7.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -78.42 -63.55 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.31 157.09 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -40.25 -53.96 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.418 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 90.6 t -119.72 113.58 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.553 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -97.28 140.12 32.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.6 tm? -136.46 105.76 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 26.7 m-85 -98.39 106.46 18.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -134.41 178.5 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -99.6 109.97 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.08 -21.05 7.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 59.73 168.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 0.746 . . . . 0.0 109.302 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HE2' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -51.91 -25.41 8.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -47.06 -54.02 11.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -156.26 144.8 20.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 28' ' ' ALA . 3.1 tttp -87.58 -40.96 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' GLU . 12.9 mm-40 -53.13 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.436 ' CD1' HD21 ' A' ' 19' ' ' LEU . 5.4 tt -37.94 -39.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' CD2' ' OH ' ' A' ' 47' ' ' TYR . 5.6 mt -63.51 -54.69 32.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' GLN . 2.7 pt-20 -57.58 -25.28 59.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.6 mt -84.86 -43.73 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.486 HD11 ' CG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -62.68 -25.93 68.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -92.07 -44.17 8.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -47.31 -27.51 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.436 ' CG2' HD21 ' A' ' 96' ' ' LEU . 2.1 p -67.08 -43.71 81.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.12 -23.26 29.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.0 m -56.8 -171.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 0.746 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -115.11 122.88 47.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.506 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 6.6 p90 -136.66 171.42 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -139.9 176.06 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.1 p -131.41 159.4 38.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.646 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 82.1 t80 -132.93 165.46 24.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -104.2 99.59 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.91 -20.39 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.55 -65.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -41.69 -66.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.52 87.36 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.91 -54.66 27.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -41.43 -51.84 3.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.458 HG11 ' CD2' ' A' ' 8' ' ' LEU . 94.5 t -57.27 -53.99 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' VAL . 43.5 ttt180 -38.91 -36.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -90.55 -42.81 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -62.2 -19.08 59.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mt -83.4 -68.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -31.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.4 m -78.06 -48.8 15.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -67.76 -54.8 16.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.58 -29.31 67.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.8 t30 70.99 33.6 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.438 ' NE1' ' CD ' ' A' ' 73' ' ' GLN . 3.9 t-105 -153.63 95.8 2.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.405 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 9.7 m -40.59 105.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.449 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.5 m-85 -113.82 164.85 14.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.5 Cg_endo -74.97 -178.01 22.19 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.055 -0.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.496 ' OE1' ' CA ' ' A' ' 83' ' ' GLY . 21.7 mm100 -137.55 179.8 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.7 tp -140.71 142.84 34.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.581 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 66.8 m-85 -134.0 127.04 31.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.581 ' HG ' ' CE1' ' A' ' 75' ' ' TYR . 4.1 tt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.4 t -88.05 -51.25 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.411 ' HA3' ' CG2' ' A' ' 86' ' ' ILE . . . 148.48 -176.9 27.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.496 ' CA ' ' OE1' ' A' ' 73' ' ' GLN . . . -91.07 179.62 42.57 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.37 -53.86 4.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 0.762 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -48.59 13.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.411 ' CG2' ' HA3' ' A' ' 82' ' ' GLY . 1.2 mt -68.58 -61.07 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.8 t -41.33 -49.93 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -50.62 72.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -41.25 -43.65 2.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.409 ' CB ' ' HB2' ' A' ' 96' ' ' LEU . 1.1 mm? -67.87 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 92' ' ' ASP . 0.4 OUTLIER -43.84 -43.47 6.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' LYS . 42.2 t0 -40.08 -65.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 95' ' ' GLU . 6.0 p30 -71.27 -43.09 67.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 93' ' ' ASN . . . 118.36 35.41 1.01 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 2.7 mm-40 -115.48 39.71 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.48 ' CD2' HD23 ' A' ' 100' ' ' LEU . 4.8 tp -120.27 -41.13 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.625 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -54.24 -45.57 99.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -75.04 -19.85 17.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 43.2 mm -81.62 -45.81 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.48 HD23 ' CD2' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -67.37 -52.71 36.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 97' ' ' LEU . 1.5 mmpt? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 11.1 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.04 -50.5 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -54.26 -50.98 52.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 50' ' ' PHE . 3.0 mt -53.03 -60.8 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.422 ' CG2' HD22 ' A' ' 62' ' ' LEU . 29.9 p -55.17 -18.95 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -121.02 36.76 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.82 -59.64 2.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.55 156.26 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.84 -32.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.408 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 72.7 t -139.85 114.03 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.544 ' HE2' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.33 140.51 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.5 tm? -137.67 104.6 5.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CE2' ' HE2' ' A' ' 18' ' ' MET . 94.6 m-85 -100.31 114.89 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 14.4 ptm -135.88 174.45 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -94.63 103.83 15.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.83 -31.44 3.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.54 171.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 5.8 mtmt -49.07 -55.36 12.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -41.66 -28.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -111.15 -142.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 27' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.479 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 68.7 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -38.55 -47.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLU . 86.0 mt-30 -40.62 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 72' ' ' PRO . 3.2 tt -40.42 -43.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.433 ' CD2' ' OH ' ' A' ' 47' ' ' TYR . 3.0 mt -61.43 -51.16 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' GLN . 3.1 mm-40 -55.84 -45.53 78.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 HG21 ' CE ' ' A' ' 91' ' ' LYS . 15.4 mt -66.73 -51.19 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -48.05 -25.16 1.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ILE . 9.8 m-80 -89.42 -44.4 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.3 m -45.01 -40.55 6.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.4 p -53.45 -47.15 69.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.71 -15.28 52.82 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.125 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.406 ' CG1' ' HE3' ' A' ' 101' ' ' LYS . 26.7 m -66.94 -178.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.37 132.43 50.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.433 ' OH ' ' CD2' ' A' ' 37' ' ' LEU . 6.4 p90 -145.75 172.58 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -148.89 162.97 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 11.6 p -117.73 163.8 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CD1' HD22 ' A' ' 11' ' ' LEU . 76.4 t80 -142.12 166.32 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.1 115.06 28.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.504 HD12 ' CD2' ' A' ' 71' ' ' TYR . 1.5 pt -92.72 -22.77 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -69.68 -72.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -45.42 -64.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.05 66.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' ARG . 1.9 pt-20 -45.17 -57.87 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -38.84 -45.38 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ARG . 88.2 t -67.46 -46.22 83.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -37.78 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 6.3 pt20 -74.58 -43.63 54.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.501 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -45.17 -25.6 1.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' PHE . 4.9 mt -85.48 -51.51 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.485 ' O ' ' CA ' ' A' ' 67' ' ' ASN . 23.5 pttt -40.04 -45.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 m -72.91 -39.93 65.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' LEU . 4.5 t80 -49.9 -41.31 45.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ASN . 70.6 m -122.37 18.38 10.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.485 ' CA ' ' O ' ' A' ' 63' ' ' LYS . 8.9 m-20 39.62 42.86 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.45 ' CD1' ' O ' ' A' ' 70' ' ' THR . 4.6 t-105 -150.93 101.15 3.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.414 ' CA ' ' HB2' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -74.98 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.45 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 2.2 m -38.53 138.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' CD2' HD12 ' A' ' 52' ' ' ILE . 1.6 m-85 -130.28 165.23 35.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.93 -174.75 14.63 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.057 -2.476 . . . . 0.0 110.981 -0.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.48 ' OE1' ' CE1' ' A' ' 71' ' ' TYR . 59.5 mt-30 -136.31 145.46 45.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 132.44 56.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -121.83 128.22 51.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' ' CG2' ' A' ' 81' ' ' VAL . 16.9 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 39.1 t -81.25 -54.39 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.63 -166.92 36.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.9 -167.36 37.57 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -57.24 11.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.13 -41.01 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' VAL . 0.7 OUTLIER -67.4 -69.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' ILE . 69.5 t -40.07 -50.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' HG2' ' CD1' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -56.46 -52.25 65.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -43.66 -52.32 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 96' ' ' LEU . 2.6 mm? -52.52 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.466 ' CE ' HG21 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -44.88 -46.88 11.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -39.16 -63.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -41.14 -51.9 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.26 46.34 0.17 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.407 ' HB3' ' HG2' ' A' ' 98' ' ' PRO . 29.6 mt-10 -146.32 -104.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.78 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 13.9 tp 69.97 -55.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.574 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.9 tm? -44.23 -47.97 24.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -22.09 15.19 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' LEU . 41.5 mm -77.57 -43.71 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -70.98 -56.08 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HE3' ' CG1' ' A' ' 45' ' ' VAL . 1.8 mmpt? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD12 ' CG1' ' A' ' 58' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -47.43 -46.07 26.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' LYS . 12.4 t -56.33 -45.89 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.611 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 1.6 mt -54.87 -58.17 8.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.4 p -61.51 -16.9 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -116.96 27.76 8.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -80.11 -62.14 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.66 153.35 29.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.97 -50.6 8.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.065 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.2 t -113.54 113.42 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.591 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -104.57 135.7 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.473 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.9 tm? -133.08 104.7 6.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 95.7 m-85 -96.65 126.73 42.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.463 ' HE2' ' CB ' ' A' ' 33' ' ' SER . 6.5 ptm -161.39 153.51 19.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.458 ' HB2' ' CG ' ' A' ' 53' ' ' LEU . 7.5 ptmt -82.85 117.14 22.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.23 -37.56 1.87 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.12 157.51 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.08 -39.92 6.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -44.95 -48.63 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -157.47 99.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.463 ' CB ' ' HE2' ' A' ' 21' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -42.86 -36.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -44.95 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.444 ' CG2' HD13 ' A' ' 37' ' ' LEU . 6.2 tt -41.71 -48.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.444 HD13 ' CG2' ' A' ' 36' ' ' ILE . 8.8 mp -53.2 -53.64 47.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.33 -50.34 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.463 ' CG2' ' HE3' ' A' ' 91' ' ' LYS . 5.9 mt -61.38 -45.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -55.28 -28.41 53.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -84.33 -50.63 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -39.98 -52.61 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.465 ' CG2' HD21 ' A' ' 96' ' ' LEU . 11.4 p -38.72 -36.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.07 -14.8 64.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.402 HG12 ' CE ' ' A' ' 101' ' ' LYS . 22.8 m -69.52 -171.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.38 138.57 51.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 4.8 p90 -150.57 169.4 21.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -135.13 165.03 26.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.7 p -123.96 158.95 30.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.377 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 80.8 t80 -137.57 162.34 34.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -102.63 120.68 40.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 pt -93.81 -17.43 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 22' ' ' LYS . 2.3 mt -77.56 -59.79 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -42.83 -57.84 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.1 104.99 15.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -42.64 44.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.86 -46.98 60.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 8' ' ' LEU . 92.2 t -62.39 -45.56 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -53.03 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.403 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 2.8 pt20 -51.47 -37.06 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.25 -19.0 75.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' PHE . 8.5 mt -86.03 -63.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' ASN . 2.3 ptmt -42.87 -42.04 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.4 m -69.76 -38.99 76.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.8 t80 -49.81 -50.61 44.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -109.55 13.37 23.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' LYS . 20.0 t-20 40.31 36.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.531 ' CD1' ' NE2' ' A' ' 73' ' ' GLN . 30.5 t-105 -127.74 77.56 76.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.035 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 29.75 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.494 ' H ' ' C ' ' A' ' 68' ' ' TRP . 2.1 m -114.28 94.34 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.46 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.5 m-85 -91.64 163.51 27.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 -176.89 19.02 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.973 0.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.531 ' NE2' ' CD1' ' A' ' 68' ' ' TRP . 3.0 mt-30 -154.22 143.59 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.93 148.33 33.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.45 ' CE1' HD11 ' A' ' 80' ' ' LEU . 21.0 m-85 -134.74 127.72 31.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.45 HD11 ' CE1' ' A' ' 75' ' ' TYR . 15.3 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.8 t -44.46 -71.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.1 -157.2 27.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -99.54 -178.76 31.1 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.52 -64.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -40.89 -41.77 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.415 HG22 ' CD2' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -70.15 -66.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' ILE . 69.0 t -39.93 -60.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -46.6 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 86' ' ' ILE . 1.1 tp10 -53.08 -59.43 4.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.415 ' CD2' HG22 ' A' ' 86' ' ' ILE . 2.7 mm? -49.65 -55.51 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.5 -60.19 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -44.83 -55.41 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -57.25 -48.13 79.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.6 34.62 1.53 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -136.55 59.07 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.5 tp -128.6 -44.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.2 -45.87 98.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.98 -18.38 18.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.83 -35.01 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.489 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -75.63 -55.54 5.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' CE ' HG12 ' A' ' 45' ' ' VAL . 2.2 mmpt? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 15.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -51.22 -46.34 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.82 -35.95 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.591 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 2.8 mt -68.93 -56.18 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -63.21 -14.56 50.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -121.23 23.35 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -60.05 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.76 157.33 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.15 -55.38 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -115.08 116.77 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.71 140.36 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.4 tm? -144.52 104.43 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.602 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 33.6 m-85 -90.65 105.92 18.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 17.7 ptm -126.75 166.35 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -101.25 124.84 47.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.9 -15.84 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER 64.9 165.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' CD ' ' CG2' ' A' ' 49' ' ' THR . 0.0 OUTLIER -46.4 -42.94 15.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -53.68 -50.76 65.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.94 109.08 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.254 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.469 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 49.9 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -49.74 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -48.29 -71.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 tt -40.12 -45.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' CD1' ' HG3' ' A' ' 25' ' ' LYS . 10.3 mt -58.89 -61.04 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -43.35 -37.32 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 23.0 mt -77.81 -46.78 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 HD12 ' CD2' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -59.69 -23.76 63.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' LEU . 2.3 t30 -91.18 -41.92 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -40.73 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 p -40.71 -34.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.45 8.44 77.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' HD23 ' A' ' 97' ' ' LEU . 4.2 m -98.11 -167.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.07 132.41 50.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -146.32 167.09 24.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -142.21 174.28 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.518 ' CG2' ' CD ' ' A' ' 25' ' ' LYS . 9.0 p -131.86 167.38 19.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 75.4 t80 -141.47 156.17 45.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 2.9 p30 -92.74 111.53 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.51 -18.27 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' CD1' ' HB2' ' A' ' 22' ' ' LYS . 19.9 mt -82.11 -64.28 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.64 -55.54 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.31 104.01 16.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.49 -34.4 41.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -57.81 -56.64 19.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 62' ' ' LEU . 69.0 t -60.68 -36.75 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -55.22 -57.09 13.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -72.75 -26.42 61.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -75.43 -24.65 70.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.542 HD13 ' CE2' ' A' ' 20' ' ' PHE . 5.2 mt -85.74 -59.57 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.767 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.96 -30.62 10.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 m -80.49 -27.79 37.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.1 t80 -90.8 -14.37 32.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.5 p -112.39 -30.1 7.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' LYS . 17.1 t30 69.31 34.19 3.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.557 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 4.0 t-105 -140.18 70.27 34.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 32.61 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.557 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 4.4 m -101.44 -56.59 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.473 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.5 m-85 55.48 162.41 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.02 168.35 77.7 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.996 -0.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.405 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 5.9 mm-40 -132.93 152.73 51.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 tp -114.03 117.07 30.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 60.0 m-85 -114.61 128.99 56.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 75' ' ' TYR . 3.9 tt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.46 -43.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 86' ' ' ILE . . . 129.41 163.91 11.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.29 -179.35 2.14 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -53.93 -48.26 70.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -30.37 13.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 82' ' ' GLY . 1.6 mt -84.44 -62.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.2 t -41.31 -63.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -49.16 11.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.76 -55.6 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.66 -64.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.467 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -41.28 -56.68 2.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.31 -56.5 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -55.4 -43.83 75.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.7 33.24 3.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -135.68 45.6 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.488 ' CD2' HD23 ' A' ' 100' ' ' LEU . 6.0 tp -112.88 -38.83 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.5 tm? -53.4 -45.77 98.33 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -11.67 21.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.5 mm -92.39 -30.15 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.488 HD23 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -82.95 -54.73 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.449 ' CG ' HD12 ' A' ' 97' ' ' LEU . 22.0 mmtt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -48.12 -47.09 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 p -54.29 -40.43 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.569 HD21 ' CZ ' ' A' ' 50' ' ' PHE . 42.8 tp -65.64 -48.78 71.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.458 ' CG2' HD22 ' A' ' 62' ' ' LEU . 39.8 p -65.29 -13.93 59.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -121.55 34.98 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -75.05 -64.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.47 162.25 13.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 t -43.71 -41.33 4.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.434 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 83.6 t -129.93 116.47 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.421 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -96.58 134.09 40.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 36' ' ' ILE . 1.7 tm? -128.33 105.99 8.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 53.1 m-85 -97.14 120.09 36.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.416 ' CE ' ' HB2' ' A' ' 33' ' ' SER . 11.3 ptm -154.14 173.87 15.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -95.82 107.31 19.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.18 -29.08 5.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER 57.21 168.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HG2' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -40.29 -36.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -55.84 -49.04 74.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ASN . 27.1 tt0 -126.94 124.56 39.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' LYS . 6.9 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.8 tptm -36.92 -38.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -45.49 -66.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' A' ' 37' ' ' LEU . 6.6 tt -49.5 -41.3 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 36' ' ' ILE . 10.0 mp -60.61 -61.33 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -42.14 -46.1 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.455 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 26.3 mt -71.88 -47.7 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -50.81 -25.86 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -88.55 -46.98 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 m -44.88 -46.01 10.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.923 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -43.75 -35.74 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.63 -12.33 70.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -74.87 -174.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -110.64 141.58 43.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.434 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 11.7 p90 -150.7 175.86 11.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.63 170.13 16.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.8 p -125.46 157.86 35.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 51' ' ' ASP . 92.7 t80 -139.25 164.69 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 2.4 p30 -95.83 120.7 36.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -96.4 -20.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -61.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.67 -52.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.56 95.06 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.61 -56.08 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -39.16 -51.02 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 62' ' ' LEU . 90.6 t -57.03 -49.26 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.4 ttp180 -54.12 -67.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.18 -40.81 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.8 -24.89 75.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.458 HD22 ' CG2' ' A' ' 12' ' ' THR . 7.3 mt -76.58 -60.4 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -51.07 -35.81 36.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.5 m -76.07 -25.02 55.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.448 ' CD2' HD23 ' A' ' 8' ' ' LEU . 6.3 t80 -62.7 -40.39 97.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.9 m -122.54 12.27 10.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' LYS . 6.0 t-20 46.52 38.34 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -130.06 79.35 73.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.028 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.29 9.1 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.8 m -84.31 100.99 11.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.495 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 13.4 m-85 -104.76 158.25 32.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.9 171.52 67.54 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.057 -0.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.489 ' OE1' ' CE2' ' A' ' 75' ' ' TYR . 4.8 pt20 -143.07 145.41 32.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -94.43 132.87 38.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.489 ' CE2' ' OE1' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -122.78 127.02 48.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -54.69 -68.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.5 -164.42 33.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.22 -167.55 34.29 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -46.6 -62.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.73 -35.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' VAL . 0.9 OUTLIER -81.78 -66.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 74' ' ' LEU . 74.8 t -40.23 -50.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -50.31 73.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.08 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.43 -58.35 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -54.21 -48.27 71.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.455 ' HD3' ' CG2' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -52.26 -67.27 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -40.38 -61.43 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -50.89 -48.13 60.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.87 46.08 0.85 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -143.96 57.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 7.5 tp -130.3 -47.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.54 -46.26 95.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.99 -16.65 20.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 33.6 mm -86.37 -41.82 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.486 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -70.4 -51.54 28.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.489 HD21 ' CD2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -44.14 -48.78 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' LYS . 5.4 p -52.89 -41.11 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.609 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 1.4 mt -60.87 -51.32 69.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.44 ' CG2' ' CD2' ' A' ' 62' ' ' LEU . 74.5 p -67.08 -11.1 56.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -124.82 25.15 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -76.72 -63.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.72 162.08 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.12 -41.89 68.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 74' ' ' LEU . 53.1 t -123.39 106.24 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.561 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.17 142.95 26.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.33 112.29 6.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.561 ' CZ ' ' HE2' ' A' ' 18' ' ' MET . 89.6 m-85 -110.54 115.44 29.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.477 ' HE3' ' CB ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -146.28 178.82 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HG2' ' CD2' ' A' ' 53' ' ' LEU . 18.2 mtmt -95.31 101.9 13.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.37 -34.14 1.93 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.94 168.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 5.6 mtmt -55.55 -31.62 62.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -44.19 -47.97 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -178.25 95.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' CB ' ' HE3' ' A' ' 21' ' ' MET . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.472 ' CB ' ' SD ' ' A' ' 21' ' ' MET . 16.4 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' SER . 9.2 tptt -37.43 -40.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -49.79 -64.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 37' ' ' LEU . 3.5 tt -45.75 -42.16 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 36' ' ' ILE . 9.1 mp -62.43 -52.11 64.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.52 -46.41 57.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mt -70.83 -48.24 58.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -50.95 -24.0 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.43 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 78.3 m-20 -86.86 -35.4 19.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -47.34 65.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -48.06 -32.93 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.0 21.28 67.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 97' ' ' LEU . 18.8 m -96.73 -170.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -86.37 121.38 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 5.5 p90 -150.95 174.22 13.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.3 -177.55 6.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p -147.12 145.76 29.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.609 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 65.7 t80 -125.13 167.45 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.486 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -107.79 123.01 47.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 2.8 pt -95.46 -28.12 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CD2' ' HG2' ' A' ' 22' ' ' LYS . 3.6 mt -67.17 -59.89 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.22 -64.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.64 96.78 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -41.5 82.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -47.38 -42.06 21.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.92 -46.5 52.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.415 ' CG ' ' HD2' ' A' ' 63' ' ' LYS . 20.9 ttp180 -43.33 -67.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 61' ' ' GLY . 4.7 pt20 -56.36 -35.07 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 60' ' ' GLN . . . -62.83 -63.9 4.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.543 HD12 ' CE2' ' A' ' 20' ' ' PHE . 16.7 mt -48.09 -53.3 16.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 67' ' ' ASN . 29.1 mtpt -50.4 -31.15 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.8 m -84.59 -48.03 9.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CD2' HD21 ' A' ' 8' ' ' LEU . 3.0 t80 -52.42 -26.72 13.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 58.2 m -113.58 -30.62 6.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 66' ' ' SER . 37.1 t30 79.9 39.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.492 ' C ' ' H ' ' A' ' 70' ' ' THR . 1.2 t-105 -134.11 68.0 73.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.472 ' CB ' ' HE2' ' A' ' 63' ' ' LYS . 18.5 Cg_endo -74.96 34.78 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.492 ' H ' ' C ' ' A' ' 68' ' ' TRP . 7.9 m -111.98 -47.82 3.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.474 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.3 m-85 55.69 161.93 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 171.59 67.35 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.028 -0.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.435 ' NE2' ' CD2' ' A' ' 68' ' ' TRP . 1.8 mt-30 -143.99 133.85 23.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -104.25 152.78 21.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.418 ' N ' HD13 ' A' ' 74' ' ' LEU . 91.7 m-85 -139.59 139.39 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -45.88 -67.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.96 179.04 29.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.86 -165.73 1.7 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.32 -45.66 79.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -30.35 52.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.84 -67.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.0 t -40.52 -55.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -57.01 12.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -40.27 -50.97 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' LYS . 2.4 mm? -61.52 -67.78 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' LEU . 18.1 tptp -40.37 -49.92 2.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -53.15 -51.66 61.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -63.51 -42.18 98.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.91 42.87 2.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -145.85 56.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.485 ' CD2' HD23 ' A' ' 100' ' ' LEU . 6.6 tp -118.37 -40.11 2.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.7 tm? -53.66 -45.81 98.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.97 -10.32 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 111.025 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.0 mm -94.32 -31.79 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.485 HD23 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -80.09 -53.68 6.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.451 ' CG ' HD12 ' A' ' 97' ' ' LEU . 14.7 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 12.2 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -47.27 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.8 p -47.27 -54.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.576 HD23 ' CD2' ' A' ' 50' ' ' PHE . 5.2 tp -53.73 -52.22 60.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.9 p -63.89 -12.4 36.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -126.68 28.66 5.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' VAL . 6.0 tttm -74.0 -57.13 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . . . -118.3 155.25 30.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -40.0 -53.43 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 79.0 t -118.1 111.4 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.573 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.98 145.34 24.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.1 tm? -146.85 105.83 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CZ ' ' HE3' ' A' ' 18' ' ' MET . 96.8 m-85 -98.46 123.78 42.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 33' ' ' SER . 4.3 ptm -149.64 178.39 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -102.92 123.66 46.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.43 -16.88 37.52 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 57.24 174.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 0.815 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE2' ' CE1' ' A' ' 47' ' ' TYR . 6.8 mtmt -46.56 -35.6 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -58.26 -63.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.81 123.38 46.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.461 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 2.9 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -80.76 -50.78 9.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -39.4 -58.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.6 tt -56.39 -40.97 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LYS . 8.1 mt -61.93 -45.52 93.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -56.18 -43.29 78.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.474 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 46.7 mt -74.94 -46.44 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -50.04 -23.6 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -91.62 -55.35 3.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.79 -40.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 p -44.99 -42.89 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.34 -2.13 67.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.462 ' CG1' HD23 ' A' ' 97' ' ' LEU . 13.0 m -83.47 -169.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.49 128.71 56.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.447 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 10.8 p90 -142.9 171.77 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . 3.5 mm-40 -144.57 167.88 21.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -127.49 163.75 23.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CD2' HD23 ' A' ' 11' ' ' LEU . 80.9 t80 -137.48 167.56 21.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.6 115.5 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -93.31 -27.08 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -64.4 -73.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.75 -68.86 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.89 89.11 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.8 -46.89 56.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.88 -42.64 5.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.5 t -78.73 -38.66 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -40.86 -45.35 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -91.77 -36.45 13.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -59.83 -30.67 69.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' PHE . 1.4 mt -79.51 -67.38 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -39.72 -41.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 m -68.95 -45.34 70.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.0 t80 -46.9 -64.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -79.23 -30.02 43.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 66' ' ' SER . 40.6 t30 80.39 37.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.422 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 23.9 t-105 -138.35 79.01 31.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.428 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 0.66 8.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.1 m -82.59 64.54 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.491 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.1 m-85 -67.41 159.7 76.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.98 -176.69 18.58 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.028 -0.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -159.38 136.54 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.65 158.76 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -131.79 127.73 37.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.404 ' CG2' HG21 ' A' ' 81' ' ' VAL . 87.9 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.404 HG21 ' CG2' ' A' ' 76' ' ' VAL . 39.5 t -87.16 -61.64 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.47 -174.14 34.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.42 ' O ' ' CG2' ' A' ' 87' ' ' VAL . . . -96.37 -141.36 11.94 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.14 -60.17 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.52 -33.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.1 mp -86.3 -66.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 83' ' ' GLY . 49.6 t -39.7 -58.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -50.09 -51.71 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 8.9 tt0 -42.46 -46.4 4.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.28 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.474 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -45.64 -66.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -42.11 -57.06 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 89' ' ' GLU . 61.0 m-20 -52.9 -40.72 63.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 91' ' ' LYS . . . 105.18 37.3 2.71 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -141.42 54.72 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.473 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 7.0 tp -125.44 -43.96 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tm? -52.39 -46.08 94.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.03 -20.78 16.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.575 1.829 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -81.51 -40.54 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.473 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -71.35 -55.75 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 100' ' ' LEU . 2.2 mmpt? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -51.38 -47.52 62.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.59 -32.36 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.491 HD13 ' CE1' ' A' ' 50' ' ' PHE . 33.1 tp -75.92 -45.53 34.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.0 p -68.22 -12.91 61.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -115.98 23.75 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.89 158.83 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -44.27 -49.85 9.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 90.1 t -119.49 112.95 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.517 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.61 143.26 27.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.477 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.9 tm? -142.4 106.3 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.517 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 73.7 m-85 -97.93 104.89 16.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.1 ptm -127.95 164.51 22.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -96.66 107.23 19.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.71 -19.08 4.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER 58.65 158.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.67 -30.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 24' ' ' ASN . 66.2 mm-40 -55.35 -62.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.62 145.46 48.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.03 -43.17 12.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -61.51 -60.48 3.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.447 ' CD1' HD22 ' A' ' 19' ' ' LEU . 5.4 tt -41.48 -44.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.6 -62.17 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -46.43 -37.32 7.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.8 mt -73.15 -52.73 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 HD11 ' CG ' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -52.55 -24.76 8.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.56 -45.24 9.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -46.02 26.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -41.82 -37.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.9 -4.5 71.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 97' ' ' LEU . 18.7 m -81.7 -170.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CG ' ' HB2' ' A' ' 16' ' ' SER . 12.7 pt-20 -108.18 137.04 46.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.427 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 10.7 p90 -150.82 174.86 12.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -147.91 164.67 33.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.5 p -125.24 145.29 50.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 51' ' ' ASP . 86.4 t80 -119.73 167.14 12.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.506 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 15.3 p-10 -99.4 111.06 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -90.88 -28.63 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.79 -68.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -39.13 -55.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.68 103.12 15.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.55 -45.65 17.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -48.72 -43.34 37.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.8 t -75.42 -33.45 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -53.14 -60.88 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.454 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 4.4 pt20 -70.77 -31.21 67.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.21 -44.2 94.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' PHE . 5.4 mt -64.74 -65.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.76 -36.55 5.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.4 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 8.8 m -73.53 -35.88 65.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.9 t80 -51.69 -42.17 61.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -122.32 16.56 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.037 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' LYS . 21.8 t-20 42.22 37.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -129.51 82.68 66.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.67 18.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.6 m -57.67 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.554 ' CD1' ' OE1' ' A' ' 73' ' ' GLN . 6.8 m-85 -95.18 163.31 22.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 178.32 35.21 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.005 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.554 ' OE1' ' CD1' ' A' ' 71' ' ' TYR . 18.3 mt-30 -139.3 134.03 32.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.63 135.31 42.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.562 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 68.3 m-85 -129.74 136.47 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 75' ' ' TYR . 5.3 tt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.3 t -59.77 -59.63 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.442 ' N ' HD23 ' A' ' 80' ' ' LEU . . . 149.96 -158.58 27.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.73 -152.99 23.28 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.33 -59.93 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -41.63 -45.77 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 87' ' ' VAL . 1.1 mp -65.28 -67.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.413 ' N ' HG21 ' A' ' 86' ' ' ILE . 56.1 t -43.0 -55.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -56.58 17.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 18.6 tt0 -44.2 -67.15 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 94' ' ' GLY . 2.4 mt -48.26 -60.9 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -45.34 -35.52 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 9.3 t0 -56.41 -65.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 90' ' ' LEU . 27.6 p30 -67.48 -19.26 65.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . 84.85 54.87 2.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -134.86 37.61 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.484 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 4.6 tp -116.88 -38.24 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tm? -54.9 -45.01 99.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.02 -28.2 9.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.4 mm -76.34 -33.14 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.484 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -76.37 -61.06 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.364 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 45' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 10.8 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -45.37 -49.55 12.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.16 -39.18 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.553 HD13 ' CZ ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -67.3 -46.55 73.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -73.63 -5.56 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -128.22 18.87 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -57.47 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.74 176.83 4.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -59.99 -59.69 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 54.5 t -111.76 112.72 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.475 ' SD ' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.2 134.33 35.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 40' ' ' LEU . 2.2 tm? -137.64 107.06 6.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 69.4 m-85 -98.1 124.87 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.401 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 3.5 ptt? -148.85 178.19 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.29 121.92 44.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 24' ' ' ASN . . . 120.65 -20.96 8.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 58.89 157.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -42.92 -40.1 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -44.12 -51.26 8.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -137.13 133.33 35.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.401 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 1.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -75.81 -48.22 22.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.8 -70.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CG2' HD11 ' A' ' 19' ' ' LEU . 4.1 tt -42.87 -41.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.23 -61.86 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -42.8 -38.6 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CG2' ' HE3' ' A' ' 91' ' ' LYS . 5.3 mt -75.96 -51.0 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' CD2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.84 -23.06 11.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.426 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 1.4 m-20 -92.95 -38.3 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -51.51 -25.96 7.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 p -67.19 -31.07 71.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.71 -7.69 68.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.432 1.083 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.89 -170.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.86 134.63 45.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.455 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 31.7 p90 -150.2 176.9 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.29 -176.78 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 p -143.05 163.98 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' HB3' ' CD1' ' A' ' 20' ' ' PHE . 83.6 t80 -145.6 167.13 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 12.0 t0 -102.25 124.88 48.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -101.68 -21.85 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -69.21 -67.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.54 -66.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.65 87.44 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' ARG . 18.7 mt-10 -63.84 -50.77 67.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -42.82 -44.82 4.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' LEU . 85.1 t -67.72 -39.81 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' GLU . 49.9 ttt180 -46.37 -52.1 13.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -88.7 -23.34 23.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.501 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -70.67 -26.86 73.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' VAL . 4.8 mt -88.11 -63.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -41.72 -36.62 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.8 m -70.49 -61.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -40.5 -59.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.1 OUTLIER -76.66 -29.48 56.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.4 t30 76.22 38.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.477 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 1.9 t-105 -152.44 95.02 3.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.48 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.477 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -38.33 103.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.463 ' CB ' ' HA ' ' A' ' 72' ' ' PRO . 1.5 m-85 -107.52 165.76 12.23 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.463 ' HA ' ' CB ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 -173.43 12.32 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.454 ' NE2' ' CD1' ' A' ' 68' ' ' TRP . 30.0 mt-30 -158.43 135.83 10.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.528 ' CB ' HG21 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -99.24 156.35 17.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -127.62 125.65 40.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.412 ' CD2' ' CB ' ' A' ' 68' ' ' TRP . 33.5 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.528 HG21 ' CB ' ' A' ' 74' ' ' LEU . 2.7 m -44.82 -65.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.05 -179.59 20.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -49.7 -178.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -54.31 42.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -48.15 -35.19 11.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 87' ' ' VAL . 0.9 OUTLIER -64.58 -72.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.427 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 72.0 t -40.42 -56.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -49.29 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -45.67 -58.75 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 96' ' ' LEU . 2.9 mm? -47.1 -40.2 14.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.499 ' HE3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -66.27 -48.79 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.8 -45.96 81.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -69.51 -58.15 4.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.17 55.33 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 2.3 mt-10 -148.14 51.16 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 4.1 tp -118.93 -63.54 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -48.57 -46.72 70.9 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.06 -9.41 20.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.779 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 8.9 mm -95.49 -38.03 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -76.72 -47.77 20.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.43 ' CD1' ' C ' ' A' ' 61' ' ' GLY . 10.6 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -48.79 15.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -46.98 -42.68 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 50' ' ' PHE . 39.4 tp -62.1 -62.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 62' ' ' LEU . 44.0 p -53.68 -22.48 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -108.12 25.66 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -70.24 -59.16 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.57 167.35 10.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -54.86 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.8 t -120.34 118.48 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.519 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 3.1 mmm -102.6 150.68 23.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.488 ' CG ' HD13 ' A' ' 40' ' ' LEU . 1.4 tm? -148.86 105.85 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.362 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CZ ' ' HE2' ' A' ' 18' ' ' MET . 83.7 m-85 -94.02 131.54 39.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 21.4 ptm -159.67 176.13 12.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' CG ' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -100.99 111.52 23.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 24' ' ' ASN . . . 133.17 -38.53 1.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.427 1.08 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER 77.21 164.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 0.726 . . . . 0.0 109.258 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -47.87 -45.16 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -43.2 -49.34 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.72 99.5 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' HE2' ' A' ' 21' ' ' MET . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 11.2 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -64.46 -33.2 75.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -47.49 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 110.24 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.475 ' CG2' HD12 ' A' ' 37' ' ' LEU . 6.8 tt -40.64 -51.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD12 ' CG2' ' A' ' 36' ' ' ILE . 7.1 mp -48.3 -61.55 1.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -46.53 -47.76 19.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.468 HG23 ' CE ' ' A' ' 91' ' ' LYS . 22.8 mt -62.54 -47.04 94.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.488 HD13 ' CG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -59.65 -22.56 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -92.15 -39.78 11.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.1 -45.92 61.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.958 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 p -47.0 -31.15 3.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.45 -21.92 29.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.427 HG13 ' CE ' ' A' ' 101' ' ' LYS . 20.0 m -55.95 -172.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 9.0 pt-20 -114.79 122.25 45.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -134.61 173.93 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -145.82 166.55 25.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.2 p -126.17 166.87 16.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CD1' HD11 ' A' ' 11' ' ' LEU . 91.8 t80 -135.89 159.45 41.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -99.82 111.66 23.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -91.02 -22.71 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.404 HD12 ' CG ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -62.57 -68.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -43.34 -69.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.65 95.86 8.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.93 -40.04 65.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -50.91 -43.64 59.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.553 HG11 ' CE2' ' A' ' 50' ' ' PHE . 85.1 t -66.69 -40.32 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -59.0 -49.75 76.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -75.13 -30.28 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.43 ' C ' ' CD1' ' A' ' 8' ' ' LEU . . . -73.51 -34.79 56.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' PHE . 5.4 mt -68.96 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.86 -38.79 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.411 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 7.3 m -69.17 -24.05 64.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -88.53 -55.53 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.403 ' OG ' ' OH ' ' A' ' 75' ' ' TYR . 3.8 m -72.01 -29.64 64.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LYS . 9.3 t-20 74.61 33.31 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.413 ' NE1' ' O ' ' A' ' 70' ' ' THR . 28.5 t-105 -147.85 85.75 6.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 108.025 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -6.35 17.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.413 ' O ' ' NE1' ' A' ' 68' ' ' TRP . 4.2 m -82.9 81.31 8.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.446 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.8 m-85 -71.11 164.54 55.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.02 -173.98 13.31 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.003 0.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.411 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 8.5 mt-30 -136.93 159.47 41.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -124.96 130.53 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.412 ' N ' HD13 ' A' ' 74' ' ' LEU . 94.1 m-85 -126.93 127.06 44.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' ' 74' ' ' LEU . 69.4 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.9 t -84.46 -60.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . 163.01 -171.08 38.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.35 -165.42 32.26 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.54 -58.38 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -44.37 -36.71 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.406 HG22 ' CD2' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -76.75 -64.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.0 t -41.87 -49.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -49.36 77.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -47.31 -52.9 14.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.406 ' CD2' HG22 ' A' ' 86' ' ' ILE . 2.7 mm? -59.34 -60.54 3.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.468 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -46.06 -58.41 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -44.11 -63.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -54.08 -36.78 63.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.2 37.98 3.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -134.38 52.19 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 5.5 tp -129.66 -45.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.9 -46.28 97.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.0 -9.4 20.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mm -94.02 -39.13 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -76.19 -48.23 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.427 ' CE ' HG13 ' A' ' 45' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.577 HD21 ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.91 -42.3 26.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -60.25 -35.21 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 50' ' ' PHE . 29.9 tp -68.12 -65.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.4 p -50.38 -22.07 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -109.84 32.57 4.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.1 tttm -73.77 -66.35 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.28 -178.81 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.14 -34.98 79.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 64.9 t -133.11 108.4 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.457 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.69 131.82 37.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 40' ' ' LEU . 2.6 tm? -133.65 105.73 7.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.574 ' CE1' HD12 ' A' ' 62' ' ' LEU . 84.5 m-85 -90.23 113.48 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.4 ptm -140.82 174.9 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -115.64 134.11 55.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . 102.65 13.14 30.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 54.7 -179.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' CE ' ' OG1' ' A' ' 49' ' ' THR . 0.4 OUTLIER -67.27 -47.42 70.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -52.28 -62.12 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -79.56 104.95 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' GLN . 5.0 tptm -76.61 -51.37 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -37.59 -64.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.417 ' CD1' HD22 ' A' ' 19' ' ' LEU . 5.7 tt -48.56 -44.15 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' LYS . 3.6 mt -62.53 -61.92 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.9 -38.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.463 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 5.5 mt -78.24 -53.43 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -47.29 -30.0 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.496 ' OD1' ' CE2' ' A' ' 47' ' ' TYR . 3.0 m-20 -84.54 -35.97 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' ILE . 70.2 m -51.44 -45.73 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 p -48.44 -31.03 5.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.41 -7.19 61.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -73.64 -170.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -103.45 132.69 49.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CE2' ' OD1' ' A' ' 41' ' ' ASN . 8.9 p90 -143.37 173.8 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -149.65 175.47 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.498 ' OG1' ' CE ' ' A' ' 25' ' ' LYS . 39.9 p -134.77 154.55 51.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 11' ' ' LEU . 89.6 t80 -128.79 166.77 18.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.37 99.56 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.35 -19.53 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -70.1 -65.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.86 -84.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.27 111.31 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -82.14 -51.58 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -46.38 -42.0 14.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' LEU . 48.8 t -65.78 -41.1 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -59.83 -65.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.5 -39.66 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.31 -38.1 81.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 20' ' ' PHE . 10.6 mt -70.53 -63.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.06 -31.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.2 m -81.71 -51.95 7.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.577 ' CD1' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -40.36 -33.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -113.43 -30.29 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 63' ' ' LYS . 34.0 t30 79.76 40.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.529 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 8.6 t-105 -135.61 71.57 64.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 31.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.529 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 99.2 m -97.99 -56.05 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.477 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.9 m-85 55.5 161.93 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.1 Cg_endo -75.04 164.58 88.06 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.973 0.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.437 ' NE2' ' CD1' ' A' ' 80' ' ' LEU . 2.8 mt-30 -137.69 154.67 49.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.443 ' HG ' ' CG2' ' A' ' 81' ' ' VAL . 1.0 OUTLIER -113.22 140.2 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -124.93 130.73 52.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' CD1' ' NE2' ' A' ' 73' ' ' GLN . 4.4 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.443 ' CG2' ' HG ' ' A' ' 74' ' ' LEU . 18.5 t -74.71 -63.08 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 86' ' ' ILE . . . 148.39 -179.32 25.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.1 -173.5 20.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.7 tp -57.1 -52.73 64.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.23 -36.16 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.4 ' CG2' ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -74.33 -64.47 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.9 t -43.11 -59.9 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -54.41 6.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -44.37 -57.01 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.32 -55.92 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.08 -55.59 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.2 -54.92 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -54.5 -54.2 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.71 36.99 0.93 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 0.9 OUTLIER -140.29 51.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.263 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 100' ' ' LEU . 5.5 tp -122.6 -42.55 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.612 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.0 tm? -52.78 -45.96 96.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.02 -19.92 17.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 38.6 mm -82.54 -39.95 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -72.8 -54.48 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.572 HD22 ' CD2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.34 -46.8 4.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' LYS . 8.1 p -56.21 -47.7 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 50' ' ' PHE . 1.7 mt -48.59 -57.78 5.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 p -60.51 -21.33 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -115.99 34.14 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -86.83 -55.34 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -117.22 155.77 28.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -38.98 -62.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.412 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 98.7 t -111.2 117.56 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.556 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -98.45 141.95 30.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' A' ' 36' ' ' ILE . 1.5 tm? -143.16 104.27 4.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CE2' HD12 ' A' ' 62' ' ' LEU . 95.0 m-85 -93.2 131.01 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.4 ptm -146.76 178.8 8.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' HE3' ' CD1' ' A' ' 52' ' ' ILE . 19.9 mttp -109.65 105.33 14.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 24' ' ' ASN . . . 130.73 -33.37 2.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER 79.06 160.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -32.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -48.39 -56.46 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -137.09 133.13 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' CB ' ' OG ' ' A' ' 33' ' ' SER . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 34' ' ' LYS . 11.1 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' N ' ' OG ' ' A' ' 33' ' ' SER . 5.9 pttp -38.68 -40.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -43.64 -61.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' CD1' HD23 ' A' ' 19' ' ' LEU . 6.2 tt -53.24 -38.94 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.461 ' CD1' HG21 ' A' ' 36' ' ' ILE . 9.3 mp -64.06 -49.18 73.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.84 -40.02 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.486 HG23 ' CE ' ' A' ' 91' ' ' LYS . 24.3 mt -73.42 -50.06 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -51.35 -22.56 2.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -90.04 -40.67 12.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.15 -44.44 21.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.8 p -48.87 -49.54 39.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.87 -18.03 22.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 101' ' ' LYS . 34.2 m -65.6 -179.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -113.09 122.7 48.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 47' ' ' TYR . 4.8 p90 -128.94 171.08 12.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -139.33 164.89 28.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.6 p -124.16 156.4 36.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.39 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CD1' HD22 ' A' ' 11' ' ' LEU . 86.7 t80 -130.05 167.71 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 14.5 t0 -105.82 115.19 29.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.464 ' CD1' ' HE3' ' A' ' 22' ' ' LYS . 2.6 pt -91.36 -30.46 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -55.13 -64.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.16 55.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t0 173.95 49.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.73 -39.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -55.99 -50.34 71.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.473 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 54.7 t -67.71 -37.05 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -58.76 -52.39 65.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.467 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 8.3 pt20 -73.31 -36.11 66.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.8 -38.57 96.35 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 20' ' ' PHE . 7.5 mt -69.59 -66.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -42.45 -44.94 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.7 m -65.82 -40.8 92.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.572 ' CD2' HD22 ' A' ' 8' ' ' LEU . 2.9 t80 -45.77 -56.03 5.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.0 m -110.34 19.55 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.1 m120 40.58 43.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.5 ' C ' ' H ' ' A' ' 70' ' ' THR . 52.5 t-105 -127.05 73.64 76.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.001 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 29.68 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 68' ' ' TRP . 80.9 p -121.36 92.62 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.453 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 4.9 m-85 -82.67 163.3 52.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.95 -174.97 15.05 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.027 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -136.15 157.24 47.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.46 ' HB2' ' CG2' ' A' ' 87' ' ' VAL . 0.3 OUTLIER -128.25 136.1 50.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.511 ' CE1' HD13 ' A' ' 80' ' ' LEU . 63.3 m-85 -128.22 127.16 42.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.511 HD13 ' CE1' ' A' ' 75' ' ' TYR . 1.7 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.57 -56.35 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.85 -169.92 30.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.55 -167.95 32.52 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 85' ' ' ASP . 3.1 tm? -45.84 -63.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -39.74 -37.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.06 -67.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 74' ' ' LEU . 75.6 t -40.04 -53.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -52.7 58.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -42.19 -50.47 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.56 -62.78 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.486 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -45.86 -61.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.75 -61.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -52.88 -30.15 32.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' LYS . . . 91.28 44.08 4.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -140.24 45.96 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 5.0 tp -123.88 -42.31 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.42 -46.03 98.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.01 -12.16 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.3 mm -87.19 -39.45 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.595 ' N ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -80.3 -52.78 7.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.47 ' HG2' ' CG1' ' A' ' 45' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 65' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.06 -40.6 45.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.467 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 2.6 p -65.11 -37.17 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 2.3 mt -59.26 -41.75 89.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.4 p -72.61 -41.65 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.524 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 12.4 p30 -93.5 21.96 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' VAL . 3.9 ttmt -69.03 -61.38 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.4 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -49.84 69.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.8 t -120.48 111.21 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -96.54 138.08 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' CD2' HD11 ' A' ' 40' ' ' LEU . 2.3 tm? -137.73 105.59 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 96.4 m-85 -98.46 113.52 25.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.451 ' CE ' ' O ' ' A' ' 22' ' ' LYS . 12.2 ptm -141.19 178.54 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' O ' ' CE ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -102.36 117.72 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.69 -23.47 11.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 60.38 -179.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 12.8 mtmt -58.84 -40.73 85.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' LYS . 81.8 mm-40 -38.64 -44.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.64 140.4 14.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.416 ' CB ' ' HE3' ' A' ' 21' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -48.13 -32.55 7.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . 45.3 mm-40 -53.39 -71.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' CD1' HD21 ' A' ' 19' ' ' LEU . 4.6 tt -38.95 -41.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 36' ' ' ILE . 9.3 mp -62.49 -56.68 15.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.91 -45.75 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.477 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 13.2 mt -71.92 -48.82 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.504 HD11 ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -54.51 -30.12 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -88.65 -26.77 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -60.94 -30.23 70.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.4 p -67.18 -29.47 69.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.8 17.23 73.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.461 ' CG1' ' HE3' ' A' ' 101' ' ' LYS . 18.8 m -97.66 174.98 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 18.0 mp0 -72.21 131.01 42.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.487 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 7.1 p90 -151.42 168.72 23.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.14 -177.3 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -148.64 142.0 25.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.373 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 74.2 t80 -123.84 167.24 14.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -105.99 112.77 25.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.74 -26.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -60.44 -71.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.74 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.16 89.96 1.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.17 -57.78 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 61' ' ' GLY . 4.5 mt-10 -39.07 -54.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 62' ' ' LEU . 69.6 t -54.84 -50.32 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -28.33 61.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -91.1 -17.8 25.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . -97.24 -16.28 35.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 58' ' ' VAL . 5.5 mt -83.92 -25.99 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -79.33 -36.42 39.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 m -79.68 -11.93 59.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.569 ' CD1' HD22 ' A' ' 8' ' ' LEU . 2.1 t80 -73.84 -44.92 54.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 26.0 m -122.33 15.56 10.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 48.26 34.53 4.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.458 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 5.1 t-105 -128.14 84.31 63.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.992 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -4.29 15.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.458 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 29.6 m -78.73 128.46 33.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.46 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.7 m-85 -122.09 163.55 31.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.463 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.93 172.95 60.34 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.042 -0.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.422 ' NE2' ' CD1' ' A' ' 68' ' ' TRP . 3.5 mt-30 -127.06 145.96 50.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' CD1' HG22 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -106.44 126.58 52.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -123.82 133.21 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.424 HG22 ' CD1' ' A' ' 74' ' ' LEU . 38.9 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 66' ' ' SER . 4.8 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -59.43 -66.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.35 -173.8 30.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.446 1.091 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.29 -174.58 35.16 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.21 -48.13 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.79 -35.63 23.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.432 HG23 ' CD1' ' A' ' 90' ' ' LEU . 1.1 mp -77.56 -62.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.7 t -41.94 -54.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -49.5 -58.95 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.1 tp10 -44.89 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.432 ' CD1' HG23 ' A' ' 86' ' ' ILE . 1.2 mt -40.96 -54.66 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.76 -42.22 71.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' GLU . 16.0 t0 -60.22 -45.48 93.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.42 -35.31 73.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.04 24.21 7.75 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.23 53.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.803 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.3 tp -131.95 -45.4 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.29 -46.26 94.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -14.95 21.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.547 1.814 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.22 -40.57 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -72.13 -51.16 22.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HE3' ' CG1' ' A' ' 45' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -42.36 -44.41 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 13' ' ' ASN . 13.0 p -63.67 -49.91 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.508 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 1.2 mt -51.24 -68.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.2 p -43.47 -29.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.423 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' VAL . 48.3 m-20 -117.19 50.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -92.62 -58.51 2.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . . . -105.39 168.81 8.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -50.07 -48.06 53.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -125.02 117.5 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -99.21 135.59 40.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -135.52 115.25 12.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 91.8 m-85 -109.1 125.73 52.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 4.4 ptm -149.61 175.57 11.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 117.79 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 27' ' ' GLU . . . 111.82 -23.05 17.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.425 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.7 OUTLIER 63.16 173.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' ASN . 3.8 mtmt -40.64 -29.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' N ' ' C ' ' A' ' 24' ' ' ASN . 23.0 mt-30 -60.32 -75.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HB2' ' CA ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -72.72 147.0 46.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.475 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -62.71 -47.41 83.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' GLU . 2.7 mm-40 -42.46 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.5 tt -41.11 -40.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.484 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 1.5 mt -61.34 -49.54 76.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' GLN . 2.2 mt-10 -59.79 -39.81 86.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.474 HG23 ' CE ' ' A' ' 91' ' ' LYS . 21.8 mt -70.31 -49.2 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -52.8 -21.98 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -89.42 -44.98 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -42.87 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -44.69 -40.03 5.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.48 -3.64 63.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.432 HG12 ' CE ' ' A' ' 101' ' ' LYS . 19.1 m -83.92 -172.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.83 131.04 56.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.484 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 6.7 p90 -138.85 168.11 20.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . 6.3 mm-40 -136.01 159.52 41.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 p -119.91 166.59 13.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.539 ' HB3' ' CD1' ' A' ' 20' ' ' PHE . 84.1 t80 -144.63 167.47 22.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.426 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 1.4 p-10 -100.88 117.63 35.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.57 HD12 ' CE2' ' A' ' 71' ' ' TYR . 1.2 pt -94.7 -31.8 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -57.52 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.76 -66.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.16 73.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.41 -48.61 80.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -44.94 -42.16 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.468 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 67.2 t -66.77 -47.78 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -69.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 61' ' ' GLY . 1.2 pp0? -52.36 -50.66 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' OE1' ' A' ' 60' ' ' GLN . . . -59.5 -14.67 28.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' PHE . 5.1 mt -92.02 -67.79 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.454 ' O ' ' CA ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -44.14 -38.46 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -74.19 -37.07 64.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' LEU . 15.7 t80 -43.1 -45.57 5.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.3 m -122.36 7.24 9.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' CA ' ' O ' ' A' ' 63' ' ' LYS . 6.5 t30 54.42 37.34 27.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.5 ' C ' ' H ' ' A' ' 70' ' ' THR . 29.3 t-105 -126.63 79.56 71.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.043 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 30.41 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 68' ' ' TRP . 1.8 m -114.05 93.65 4.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.57 ' CE2' HD12 ' A' ' 52' ' ' ILE . 14.8 m-85 -81.32 162.24 59.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.96 -175.28 15.68 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.998 -0.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -136.88 126.92 26.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -110.01 130.02 55.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 49.1 m-85 -128.57 132.37 48.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.2 t -41.16 -73.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.69 178.68 25.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.5 -164.37 1.21 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.11 -57.31 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.94 -41.34 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.429 HG22 ' CD1' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -68.0 -68.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.9 t -44.31 -53.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -52.78 -56.94 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ASP . 18.2 tt0 -45.18 -68.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.429 ' CD1' HG22 ' A' ' 86' ' ' ILE . 1.4 mt -44.67 -53.35 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.474 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -53.72 -35.89 61.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 89' ' ' GLU . 17.6 t70 -67.46 -52.82 34.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -61.46 -43.28 99.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.85 29.86 3.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.13 52.83 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 7.0 tp -131.81 -48.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.0 tm? -53.42 -46.04 98.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.97 -13.36 21.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.9 mm -89.02 -43.86 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.523 ' N ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -69.8 -49.23 54.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.432 ' CE ' HG12 ' A' ' 45' ' ' VAL . 1.8 mmpt? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.7 tp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -47.33 10.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 33.0 t -60.98 -37.53 77.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -61.93 -53.91 49.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.9 p -68.65 -11.57 60.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -117.57 17.28 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' VAL . 2.4 ttmt -73.02 -61.36 1.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.38 148.06 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.77 -48.92 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.962 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 t -113.62 107.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.44 124.74 39.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.8 tm? -118.27 106.01 12.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 42.1 m-85 -101.07 108.04 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.54 ' CE ' ' CB ' ' A' ' 28' ' ' ALA . 3.1 ptt? -136.4 178.68 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -104.75 107.81 18.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.78 -29.83 2.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.25 156.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -40.1 -37.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -39.94 -41.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 169.49 165.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.54 ' CB ' ' CE ' ' A' ' 21' ' ' MET . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.457 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 5.5 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -48.26 71.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -46.55 -65.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.451 ' CD1' HD22 ' A' ' 19' ' ' LEU . 1.3 tt -41.96 -44.11 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' N ' HG21 ' A' ' 36' ' ' ILE . 1.5 mt -65.27 -48.45 73.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.98 -34.48 63.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.472 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 44.1 mt -80.47 -50.26 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 HD12 ' CD2' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -50.05 -23.49 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -28.29 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -74.01 -3.04 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.957 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.439 ' C ' ' H ' ' A' ' 45' ' ' VAL . 39.4 p -134.4 84.52 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 45' ' ' VAL . . . -73.14 10.35 5.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.439 ' H ' ' C ' ' A' ' 43' ' ' THR . 2.3 m -55.71 -165.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.86 109.97 13.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -151.03 178.44 9.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -162.05 175.84 11.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 p -136.72 138.87 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CD1' HD11 ' A' ' 11' ' ' LEU . 83.6 t80 -121.11 165.58 15.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -109.94 115.44 29.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -87.95 -15.73 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -74.22 -65.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -45.77 -70.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -78.3 87.29 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.26 -35.72 81.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.55 -55.25 36.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' A' ' 50' ' ' PHE . 78.9 t -54.12 -46.01 66.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -53.95 -70.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -54.32 -35.52 62.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.413 ' O ' ' CD2' ' A' ' 8' ' ' LEU . . . -73.8 -12.7 80.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' PHE . 5.0 mt -92.55 -62.52 1.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -44.81 -36.4 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.8 m -75.6 -37.35 59.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -53.99 -37.29 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' ASN . 3.5 m -122.39 13.68 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.039 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' LYS . 44.0 t30 39.9 39.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 70' ' ' THR . 24.0 t-105 -130.71 77.64 75.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.55 7.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.804 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.448 ' O ' ' NE1' ' A' ' 68' ' ' TRP . 23.4 m -76.35 89.23 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.489 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 26.1 m-85 -86.99 157.17 54.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.07 167.23 81.07 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.982 0.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.463 ' HG3' ' CD1' ' A' ' 80' ' ' LEU . 29.1 tt0 -133.56 116.95 16.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.403 HD11 ' N ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -94.13 149.81 20.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.403 ' N ' HD11 ' A' ' 74' ' ' LEU . 9.5 m-85 -132.85 126.8 33.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.5 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD1' ' HG3' ' A' ' 73' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.0 t -72.8 -63.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.406 ' N ' HD13 ' A' ' 80' ' ' LEU . . . 157.55 -169.27 34.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.52 -162.45 32.69 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD2' HD11 ' A' ' 39' ' ' ILE . 1.7 tm? -56.65 -56.03 26.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -36.46 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -70.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.3 t -40.31 -58.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -53.17 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -48.33 -69.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -42.17 -57.03 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -50.11 -45.89 53.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -65.09 -64.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -44.05 -43.56 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.95 40.73 1.94 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -141.82 50.4 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.784 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 7.5 tp -117.51 -43.15 2.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.48 -45.61 98.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.06 -36.55 2.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.37 -37.37 79.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.506 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -76.84 -60.94 2.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 p -65.35 98.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 110.003 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 p -55.15 114.06 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.61 134.21 3.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t 60.91 86.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -110.84 95.54 5.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.83 65.66 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 10.7 mt -92.53 -59.96 1.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.63 -48.99 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 14' ' ' LYS . 8.4 p -53.21 -48.48 54.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.589 ' CD1' ' CZ ' ' A' ' 50' ' ' PHE . 1.6 mt -54.2 -55.43 28.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.8 p -63.95 -16.79 62.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -115.18 25.93 10.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 10' ' ' VAL . 13.1 ttpt -78.69 -57.2 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.59 152.81 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 m -40.64 -52.91 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 91.4 t -118.32 112.87 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -99.02 141.03 32.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.48 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.5 tm? -139.81 104.96 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.603 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 44.6 m-85 -95.26 127.2 41.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.9 ptm -161.54 169.63 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 1.5 ptmm? -86.55 113.44 22.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.84 -31.88 6.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.485 HD22 ' N ' ' A' ' 51' ' ' ASP . 1.5 m-20 56.0 171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -38.99 -30.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 24' ' ' ASN . 46.4 mm-40 -55.33 -63.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -114.19 145.54 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.28 121.25 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.2 -42.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 108.291 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' SER . . . -124.75 168.25 16.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.423 1.077 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.71 -65.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -75.82 -54.25 7.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -69.7 -32.83 71.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.2 mm100 -48.18 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' A' ' 37' ' ' LEU . 10.1 tt -39.36 -49.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 36' ' ' ILE . 6.7 mp -51.67 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -38.69 -38.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.475 ' CG2' ' HE3' ' A' ' 91' ' ' LYS . 28.6 mt -73.47 -50.55 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD11 ' CG ' ' A' ' 19' ' ' LEU . 1.1 mt -55.93 -24.59 38.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -93.1 -50.45 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.5 m -44.04 -32.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.6 p -55.88 -47.14 77.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.401 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.11 -8.55 42.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' HD23 ' A' ' 97' ' ' LEU . 16.7 m -75.6 -171.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -107.31 134.52 50.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.467 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 15.3 p90 -150.95 174.68 12.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -147.91 173.08 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.2 p -127.37 164.52 21.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.589 ' CZ ' ' CD1' ' A' ' 11' ' ' LEU . 74.8 t80 -146.27 162.73 37.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' N ' HD22 ' A' ' 24' ' ' ASN . 1.3 p30 -96.33 129.19 43.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.41 -18.83 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 22' ' ' LYS . 4.5 mt -82.52 -63.73 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.36 -44.79 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.09 80.12 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.1 -52.86 57.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -40.74 -47.53 2.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 62' ' ' LEU . 87.5 t -63.99 -45.44 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -40.21 -66.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -74.12 -30.97 62.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -60.33 -28.63 67.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' VAL . 6.8 mt -86.03 -59.0 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.93 -39.09 39.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 m -71.03 -23.62 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.1 t80 -88.94 -50.12 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -30.21 52.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 63' ' ' LYS . 8.2 t-20 74.22 33.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.439 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 18.2 t-105 -147.64 83.36 7.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 107.997 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.43 8.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -84.45 62.6 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.386 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.449 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.7 m-85 -52.45 165.04 0.56 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.02 -174.64 14.5 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.957 0.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 18.6 mt-30 -141.51 137.66 32.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 75' ' ' TYR . 3.3 tp -114.16 133.53 55.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.412 ' N ' HD13 ' A' ' 74' ' ' LEU . 72.4 m-85 -118.88 127.45 53.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' GLY . 94.2 t -135.46 142.94 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 67.05 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -174.05 -38.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -82.32 147.55 28.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 tp -62.35 130.11 43.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.2 t -79.05 -61.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.19 -166.01 33.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 86' ' ' ILE . . . -101.73 -179.09 28.13 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -41.78 -59.83 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -43.1 -42.5 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -73.44 -63.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.8 t -41.93 -62.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -45.46 15.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -46.48 -61.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.12 -62.44 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HE3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -43.2 -58.92 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.85 -56.35 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -54.55 -41.57 69.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.82 39.69 2.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -141.3 49.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.482 ' CD2' HD23 ' A' ' 100' ' ' LEU . 6.0 tp -119.71 -40.21 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.627 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tm? -53.76 -45.31 98.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.98 -16.47 20.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.3 mm -87.38 -35.25 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -76.18 -54.87 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -40.89 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.31 80.59 1.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.6 141.39 58.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.238 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.48 145.91 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.12 162.48 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.21 39.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.3 t -104.35 -58.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.3 p -95.73 -58.46 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.89 97.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -152.02 105.05 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.6 -175.6 15.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -169.39 -57.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -102.68 91.13 4.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' CA ' ' CG1' ' A' ' 10' ' ' VAL . . . -75.01 78.56 1.06 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -90.47 -65.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -47.64 -36.2 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.458 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 2.7 p -69.91 -37.53 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.631 ' CD1' ' CZ ' ' A' ' 50' ' ' PHE . 1.4 mt -61.77 -40.1 93.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 9' ' ' LYS . 78.9 p -71.18 -32.97 69.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.544 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 24.5 p30 -101.46 19.71 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -64.32 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.62 164.6 13.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -63.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.424 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 56.8 t -108.96 111.29 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.523 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.82 138.15 32.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.481 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.9 tm? -139.16 104.66 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.524 ' CE2' HD13 ' A' ' 62' ' ' LEU . 84.5 m-85 -94.21 124.93 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 3.9 ptm -159.86 173.44 15.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -91.48 116.51 28.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.59 -28.02 7.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.44 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 56.68 164.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.24 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -40.61 -29.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.44 ' N ' ' C ' ' A' ' 24' ' ' ASN . 73.4 mm-40 -55.29 -63.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.03 140.3 49.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 34' ' ' LYS . . . -125.08 -176.12 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -113.89 -35.74 5.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 1.5 t 87.29 82.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.53 -48.77 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -134.54 -49.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.47 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 14.2 m -61.33 -42.73 99.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HB2' ' CB ' ' A' ' 28' ' ' ALA . 8.2 tttp -84.0 -41.08 17.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -71.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.45 ' CD1' HD23 ' A' ' 19' ' ' LEU . 7.7 tt -42.09 -44.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 HD23 ' CG2' ' A' ' 49' ' ' THR . 6.1 mt -59.93 -57.72 11.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.5 -37.38 17.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 10.2 mt -75.73 -48.73 28.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD11 ' CG ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -54.12 -25.1 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.53 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 3.3 m-20 -86.82 -35.78 18.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.7 -44.71 58.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.2 p -50.43 -30.8 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.1 -2.99 67.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.4 m -75.27 -172.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.9 126.65 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.544 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 25.2 p90 -143.6 177.44 8.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -158.61 -178.25 7.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.47 ' CG2' HD23 ' A' ' 37' ' ' LEU . 34.2 p -137.28 166.13 24.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.631 ' CZ ' ' CD1' ' A' ' 11' ' ' LEU . 82.4 t80 -148.08 163.52 36.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.524 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -94.87 124.48 38.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.485 HD13 ' CE2' ' A' ' 71' ' ' TYR . 1.1 pp -101.01 -10.79 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 22' ' ' LYS . 5.1 mt -90.26 -68.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -38.69 -40.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 95.89 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.37 -49.7 46.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -43.54 -54.45 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.46 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 78.9 t -56.0 -42.87 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.4 ttt-85 -59.25 -56.34 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -67.02 -12.12 58.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.31 -45.22 4.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.524 HD13 ' CE2' ' A' ' 20' ' ' PHE . 17.3 mt -67.04 -56.08 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.97 -36.73 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.3 m -77.43 -56.86 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -37.61 -47.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 1.3 t -95.7 -29.34 14.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 66' ' ' SER . 49.1 t30 79.48 36.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.357 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.431 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 1.8 t-105 -147.34 92.33 4.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.61 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.421 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 3.0 m -40.77 98.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.485 ' CE2' HD13 ' A' ' 52' ' ' ILE . 13.6 m-85 -85.84 162.87 45.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -75.0 -173.35 12.17 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.06 -2.475 . . . . 0.0 111.02 0.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 0.5 OUTLIER -145.06 126.31 14.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 HD21 ' CG1' ' A' ' 81' ' ' VAL . 1.6 tp -103.43 138.08 40.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -128.22 132.1 48.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 77' ' ' ARG . 2.3 p -126.75 154.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -37.2 -49.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.93 -106.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.25 159.04 37.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.92 127.33 11.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.449 ' CG1' HD21 ' A' ' 74' ' ' LEU . 84.9 t -73.01 -63.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.07 -163.4 30.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.71 172.06 43.94 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD22 ' CB ' ' A' ' 36' ' ' ILE . 1.4 tm? -44.49 -53.08 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -48.62 -47.66 39.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 mt -65.76 -58.64 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 83.0 t -45.3 -60.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -45.89 46.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -46.76 -64.37 0.79 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -51.16 -63.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.468 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -42.75 -47.86 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -54.87 -54.98 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.81 -35.64 77.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.63 43.02 2.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -142.95 52.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.491 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 5.8 tp -124.39 -42.67 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tm? -54.39 -45.16 99.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.06 -17.53 19.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.6 mm -87.7 -32.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.491 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -77.46 -55.09 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.93 -86.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.06 -90.59 0.27 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -118.85 -40.06 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 178.82 78.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 66.2 85.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 124.78 8.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.61 127.53 44.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.54 106.88 8.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 t 61.2 107.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.08 143.3 44.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.66 -72.15 0.39 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -93.74 144.61 25.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -83.86 76.72 10.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . 47.15 93.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tp -90.4 -53.86 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -32.74 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 3.1 p -74.94 -38.62 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.621 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -60.59 -39.42 88.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -76.88 0.39 21.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -138.5 25.23 2.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -61.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.68 169.75 8.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.45 -49.03 71.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 66.5 t -122.79 113.09 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.34 142.13 27.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 40' ' ' LEU . 1.7 tm? -143.39 106.16 4.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 80.7 m-85 -97.98 118.09 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -145.32 178.73 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -114.99 116.27 28.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.25 -13.46 4.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.18 160.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 0.6 OUTLIER -60.81 -33.96 73.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -41.02 -47.39 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -163.48 114.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.48 169.85 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 -45.07 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -106.83 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 108.307 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.47 -58.13 4.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -47.16 -48.77 23.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.9 p -49.66 -40.41 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -79.78 -55.45 4.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -44.64 -69.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.41 ' N ' HD23 ' A' ' 84' ' ' LEU . 4.6 tt -41.36 -42.89 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 HD22 ' CG ' ' A' ' 25' ' ' LYS . 5.6 mt -63.19 -50.33 70.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -39.24 62.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.1 mt -77.93 -48.57 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -50.23 -27.5 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.423 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 9.4 m-20 -85.56 -48.04 9.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.38 -51.59 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.5 p -39.58 -39.26 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.77 -13.9 61.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.28 -171.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.07 131.36 51.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.437 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 16.6 p90 -145.0 177.22 8.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -147.02 179.77 7.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.459 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 1.9 p -140.83 142.22 34.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.445 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 58.7 t80 -130.0 130.29 44.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -70.97 131.91 44.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.67 -8.96 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 22' ' ' LYS . 14.1 mt -82.69 -67.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.5 -55.33 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.11 113.96 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -88.09 -46.19 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -47.08 -43.2 19.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.4 t -71.93 -32.69 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -61.14 -70.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 17.5 pt20 -57.75 -48.39 79.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' A' ' 60' ' ' GLN . . . -52.4 -24.9 18.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' PHE . 6.4 mt -79.96 -69.53 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -33.48 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -74.24 -29.21 61.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -89.32 -61.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.3 t -62.06 -29.57 70.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 73.51 33.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.548 ' CG ' ' OE1' ' A' ' 73' ' ' GLN . 6.9 t-105 -147.96 89.92 5.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 p -49.37 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.454 ' CB ' ' HA ' ' A' ' 72' ' ' PRO . 1.6 m-85 -95.76 165.34 16.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HA ' ' CB ' ' A' ' 71' ' ' TYR . 18.5 Cg_endo -74.98 -173.97 13.27 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.005 -0.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.548 ' OE1' ' CG ' ' A' ' 68' ' ' TRP . 3.5 mt-30 -138.37 137.98 37.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -101.31 131.98 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.562 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 28.9 m-85 -127.33 132.26 50.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 77' ' ' ARG . 8.4 p -137.05 159.97 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -38.18 -39.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.18 -122.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -116.11 161.04 19.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 75' ' ' TYR . 4.9 tt -47.31 103.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -53.87 -57.9 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.441 ' N ' HD21 ' A' ' 80' ' ' LEU . . . 147.37 -177.49 25.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.79 -157.16 4.6 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.418 ' C ' ' CD1' ' A' ' 84' ' ' LEU . 1.2 tm? -69.9 -50.37 42.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.7 -35.24 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.457 ' CG2' HD12 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -77.56 -63.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.414 ' N ' HG22 ' A' ' 86' ' ' ILE . 40.1 t -44.28 -59.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.69 -57.43 3.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -46.45 -66.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.457 HD12 ' CG2' ' A' ' 86' ' ' ILE . 1.4 mt -42.04 -55.7 3.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -51.21 -50.02 59.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -49.69 46.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.34 -47.73 82.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.06 33.17 2.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -135.11 58.17 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.2 tp -120.67 -42.96 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tm? -53.92 -45.8 98.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.98 -17.18 19.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 mm -86.71 -36.65 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.486 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -74.41 -54.3 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -40.17 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -170.11 -81.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -136.86 78.38 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 98' ' ' PRO . 25.2 m 44.71 87.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.83 -153.63 4.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.64 36.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.9 p -175.59 127.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.39 122.87 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.64 90.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.982 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -117.02 157.59 25.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.21 -112.98 4.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -140.27 92.71 2.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.788 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 p -147.46 114.65 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.04 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.26 79.15 0.26 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.476 HD11 ' CG1' ' A' ' 58' ' ' VAL . 0.6 OUTLIER -59.37 -62.54 1.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -43.61 -48.94 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' LYS . 71.0 t -62.06 -38.5 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.65 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 5.5 mt -63.49 -58.17 7.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.0 p -61.75 -19.24 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 9' ' ' LYS . 77.8 m-20 -117.72 27.77 8.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.99 -62.75 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.62 153.63 24.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -43.89 -42.18 5.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -121.97 112.3 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.534 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -100.72 134.68 43.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.481 ' CG ' HD13 ' A' ' 40' ' ' LEU . 1.7 tm? -133.23 104.49 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CE2' HD11 ' A' ' 62' ' ' LEU . 89.8 m-85 -94.45 107.29 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.491 ' CE ' ' HA ' ' A' ' 28' ' ' ALA . 9.8 ptm -129.55 170.61 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -96.07 116.52 29.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.27 48.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m120 61.57 -175.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.522 ' CD ' ' CG2' ' A' ' 49' ' ' THR . 0.0 OUTLIER -50.18 -43.93 52.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -46.26 -26.89 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.29 -165.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.491 ' HA ' ' CE ' ' A' ' 21' ' ' MET . . . 179.6 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER 81.83 -49.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 2.0 t 93.94 99.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.78 -40.96 0.46 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -155.6 -48.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.756 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.427 ' CB ' ' HE3' ' A' ' 21' ' ' MET . 0.3 OUTLIER -51.52 -32.52 28.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.048 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HD2' ' CB ' ' A' ' 28' ' ' ALA . 11.3 tptt -81.86 -50.35 9.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -49.84 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 tt -41.12 -43.06 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.4 mt -63.32 -55.78 21.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' SER . 3.8 mm-40 -44.1 -46.9 8.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 6.5 mt -70.47 -49.07 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD13 ' CG ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.28 -27.46 35.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 t30 -93.69 -34.47 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.437 ' HB3' ' CE ' ' A' ' 91' ' ' LYS . 9.9 t -56.77 -26.4 57.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 p -63.19 -45.0 93.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.58 -1.31 63.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG1' ' CD2' ' A' ' 97' ' ' LEU . 11.1 m -81.78 -168.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.85 132.22 51.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -149.93 167.8 25.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -141.7 175.12 9.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.522 ' CG2' ' CD ' ' A' ' 25' ' ' LYS . 73.2 p -135.04 162.07 33.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.65 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 73.7 t80 -136.4 167.47 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -97.32 117.07 30.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -99.39 -10.33 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 28.0 mt -89.3 -68.86 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.13 -62.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.36 107.47 15.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.01 -50.92 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -43.83 -43.3 6.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.476 ' CG1' HD11 ' A' ' 8' ' ' LEU . 58.2 t -75.95 -46.35 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' VAL . 44.5 ttp180 -38.35 -69.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' LYS . 3.0 pt20 -70.36 -36.04 73.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.32 -11.29 32.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.572 HD11 ' CE2' ' A' ' 20' ' ' PHE . 2.4 mt -90.44 -41.6 11.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 1.6 ptpt -57.82 -31.06 66.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 18.3 m -82.14 -11.52 58.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 28.9 t80 -63.73 -59.24 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 m -122.44 20.6 10.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 17.5 t-20 55.96 42.86 28.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.514 ' CD1' ' O ' ' A' ' 70' ' ' THR . 69.8 t-105 -127.15 82.48 68.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.415 ' CA ' ' HB2' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -74.91 0.83 8.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 21.7 m -89.57 143.73 26.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.511 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 23.9 m-85 -144.85 152.6 52.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.99 168.34 77.74 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.006 -0.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' CB ' ' CD1' ' A' ' 68' ' ' TRP . 1.7 pt20 -125.39 -179.11 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -135.14 134.13 39.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -123.61 128.32 49.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.438 ' CG2' HG21 ' A' ' 81' ' ' VAL . 74.4 t -136.8 132.71 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 54.41 29.25 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.78 -42.34 3.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -72.19 136.93 46.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.79 142.53 57.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.438 HG21 ' CG2' ' A' ' 76' ' ' VAL . 30.0 t -96.62 -55.96 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.72 -160.38 31.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.92 -156.65 25.24 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.76 -61.08 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -42.24 -40.79 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.32 -67.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 74' ' ' LEU . 79.0 t -41.19 -55.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -45.77 62.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -49.95 -69.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.431 ' CB ' HD12 ' A' ' 96' ' ' LEU . 3.0 mm? -42.86 -54.83 3.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.467 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -53.71 -45.35 70.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.42 -61.13 2.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -49.9 -39.83 41.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.21 45.0 1.78 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -145.76 49.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 4.2 tp -120.16 -41.93 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.624 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tm? -55.86 -45.64 99.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -75.01 -29.71 7.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.0 mm -74.78 -33.47 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.499 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -76.23 -61.02 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.454 ' HE3' ' CG1' ' A' ' 45' ' ' VAL . 1.7 mmpt? -40.03 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.06 -75.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -124.38 -47.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.794 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.4 t 68.03 107.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.53 -158.64 7.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 151.66 39.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 t -171.15 80.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.15 84.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.949 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.47 133.84 29.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.02 -52.97 5.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.93 146.82 8.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.4 -54.69 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.76 89.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.964 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -78.46 108.45 2.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -92.79 -65.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.78 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -49.14 -46.94 45.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.467 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 7.3 p -57.29 -45.24 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 50' ' ' PHE . 2.4 mt -50.8 -58.28 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.0 p -58.55 -16.07 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -116.63 21.13 13.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -72.49 -58.46 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.42 161.98 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -50.08 -48.13 53.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.2 t -121.51 109.11 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.569 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.08 132.82 39.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.483 HD12 ' CG2' ' A' ' 36' ' ' ILE . 1.2 tm? -131.98 104.75 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 96.4 m-85 -92.82 118.9 31.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.434 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 28.2 ptm -145.29 178.41 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -98.44 111.24 23.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.79 -18.35 26.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.3 m120 61.41 170.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -39.78 -30.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASN . 44.3 mm-40 -51.19 -50.1 59.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.73 147.96 31.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HA ' ' CE ' ' A' ' 21' ' ' MET . . . -109.69 -172.78 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -81.87 -67.69 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 t -175.09 -61.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -152.83 56.26 0.43 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -159.95 -48.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.409 ' CB ' ' HE1' ' A' ' 21' ' ' MET . 1.4 m -83.83 -22.29 31.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -79.98 -39.73 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -46.55 -63.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.483 ' CG2' HD12 ' A' ' 19' ' ' LEU . 6.9 tt -42.64 -52.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.48 HD11 ' CG2' ' A' ' 36' ' ' ILE . 7.1 mp -49.56 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.26 -37.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.431 HD13 ' CD2' ' A' ' 84' ' ' LEU . 37.8 mt -76.62 -54.71 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD12 ' CG ' ' A' ' 19' ' ' LEU . 1.1 mt -54.41 -28.57 44.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.167 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -81.26 -37.82 27.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -44.89 39.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 31.8 p -56.24 -23.24 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.06 19.82 32.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.439 ' CG1' ' HE3' ' A' ' 101' ' ' LYS . 21.0 m -94.28 175.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -66.66 126.79 30.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.558 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 10.8 p90 -151.1 -179.78 7.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.88 177.02 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 2.5 p -134.09 153.4 51.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CD1' HD21 ' A' ' 11' ' ' LEU . 59.6 t80 -133.91 162.43 32.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -102.13 126.39 49.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -99.14 -12.12 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.414 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -77.24 -70.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -41.05 -90.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.91 94.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.0 -52.32 20.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -44.33 -52.21 7.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.469 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 92.7 t -58.01 -38.23 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -59.8 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -68.95 -28.42 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 60' ' ' GLN . . . -72.15 -33.92 61.77 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' CD2' HD23 ' A' ' 8' ' ' LEU . 6.3 mt -73.38 -62.82 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.69 -44.08 13.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -67.25 -38.43 85.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CD1' HD22 ' A' ' 8' ' ' LEU . 5.5 t80 -43.07 -55.03 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.0 m -118.5 23.5 11.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LYS . 14.3 t-20 40.42 35.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CD1' ' NE2' ' A' ' 73' ' ' GLN . 2.3 t-105 -128.12 88.08 53.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.79 2.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.415 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 8.2 m -38.63 118.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.471 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.6 m-85 -117.56 162.5 28.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -74.98 -176.04 17.26 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.019 -0.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.558 ' NE2' ' CD1' ' A' ' 68' ' ' TRP . 2.1 mt-30 -143.7 133.48 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.3 tp -98.18 127.08 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.414 ' N ' HD12 ' A' ' 74' ' ' LEU . 38.5 m-85 -120.7 129.01 53.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 78' ' ' GLY . 68.0 t -120.25 148.0 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -39.09 -30.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -71.9 -102.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -128.35 159.01 36.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp -56.6 111.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.74 -66.69 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.98 -156.68 26.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.87 -175.36 44.13 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 39' ' ' ILE . 1.8 tm? -50.94 -54.93 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -47.4 -45.48 25.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -63.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -40.47 -57.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -51.78 53.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -42.75 -47.85 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.67 -46.61 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -57.41 12.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -48.67 -53.09 20.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -58.67 -52.93 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.52 35.2 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.5 51.69 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 6.0 tp -124.95 -49.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.9 -46.35 97.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.04 -13.73 21.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.4 mm -89.76 -43.23 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -69.99 -48.67 57.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.439 ' HE3' ' CG1' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -45.61 -73.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . 150.94 73.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 102' ' ' GLY . 62.3 mt-10 35.05 84.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.73 164.43 8.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.58 -145.32 17.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.62 17.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 152.44 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.987 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 63.3 p -136.04 106.03 6.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.93 104.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.77 164.5 22.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.55 -128.86 1.83 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.26 111.53 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.32 162.22 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.82 61.22 0.4 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 16.0 mt -91.49 -64.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.3 ptpt -45.22 -50.96 11.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.6 p -52.18 -46.61 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.646 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 2.4 mt -58.69 -57.85 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -61.66 -19.54 62.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LYS . 77.5 m-20 -117.01 30.43 7.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -78.42 -63.55 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.31 157.09 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -40.25 -53.96 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.418 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 90.6 t -119.72 113.58 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.553 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -97.28 140.12 32.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.6 tm? -136.46 105.76 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 26.7 m-85 -98.39 106.46 18.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -134.41 178.5 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -99.6 109.97 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.08 -21.05 7.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 59.73 168.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 0.746 . . . . 0.0 109.302 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HE2' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -51.91 -25.41 8.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -47.06 -54.02 11.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -156.26 144.8 20.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 34' ' ' LYS . . . -99.2 155.36 17.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -141.47 52.05 1.55 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 m 59.96 -177.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.82 60.35 3.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CE1' HD13 ' A' ' 84' ' ' LEU . 23.7 m-85 41.2 29.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 p -84.16 -42.51 15.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 28' ' ' ALA . 3.1 tttp -87.58 -40.96 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' GLU . 12.9 mm-40 -53.13 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.436 ' CD1' HD21 ' A' ' 19' ' ' LEU . 5.4 tt -37.94 -39.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' CD2' ' OH ' ' A' ' 47' ' ' TYR . 5.6 mt -63.51 -54.69 32.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' GLN . 2.7 pt-20 -57.58 -25.28 59.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.6 mt -84.86 -43.73 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.486 HD11 ' CG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -62.68 -25.93 68.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -92.07 -44.17 8.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -47.31 -27.51 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.436 ' CG2' HD21 ' A' ' 96' ' ' LEU . 2.1 p -67.08 -43.71 81.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.12 -23.26 29.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.0 m -56.8 -171.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 0.746 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -115.11 122.88 47.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.506 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 6.6 p90 -136.66 171.42 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -139.9 176.06 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.1 p -131.41 159.4 38.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.646 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 82.1 t80 -132.93 165.46 24.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -104.2 99.59 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.91 -20.39 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.55 -65.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -41.69 -66.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.52 87.36 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.91 -54.66 27.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -41.43 -51.84 3.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.458 HG11 ' CD2' ' A' ' 8' ' ' LEU . 94.5 t -57.27 -53.99 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' VAL . 43.5 ttt180 -38.91 -36.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -90.55 -42.81 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -62.2 -19.08 59.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mt -83.4 -68.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -31.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.4 m -78.06 -48.8 15.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -67.76 -54.8 16.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.58 -29.31 67.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.8 t30 70.99 33.6 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.438 ' NE1' ' CD ' ' A' ' 73' ' ' GLN . 3.9 t-105 -153.63 95.8 2.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.405 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 9.7 m -40.59 105.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.449 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.5 m-85 -113.82 164.85 14.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.5 Cg_endo -74.97 -178.01 22.19 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.055 -0.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.496 ' OE1' ' CA ' ' A' ' 83' ' ' GLY . 21.7 mm100 -137.55 179.8 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.7 tp -140.71 142.84 34.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.581 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 66.8 m-85 -134.0 127.04 31.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.3 t -137.2 135.45 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 72.34 -58.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.95 -45.83 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -74.4 146.08 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.581 ' HG ' ' CE1' ' A' ' 75' ' ' TYR . 4.1 tt -67.53 137.05 55.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.4 t -88.05 -51.25 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.411 ' HA3' ' CG2' ' A' ' 86' ' ' ILE . . . 148.48 -176.9 27.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.496 ' CA ' ' OE1' ' A' ' 73' ' ' GLN . . . -91.07 179.62 42.57 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.479 HD13 ' CE1' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -42.37 -53.86 4.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 0.762 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -48.59 13.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.411 ' CG2' ' HA3' ' A' ' 82' ' ' GLY . 1.2 mt -68.58 -61.07 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.8 t -41.33 -49.93 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -50.62 72.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -41.25 -43.65 2.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.409 ' CB ' ' HB2' ' A' ' 96' ' ' LEU . 1.1 mm? -67.87 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 92' ' ' ASP . 0.4 OUTLIER -43.84 -43.47 6.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' LYS . 42.2 t0 -40.08 -65.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 95' ' ' GLU . 6.0 p30 -71.27 -43.09 67.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 93' ' ' ASN . . . 118.36 35.41 1.01 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 2.7 mm-40 -115.48 39.71 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.48 ' CD2' HD23 ' A' ' 100' ' ' LEU . 4.8 tp -120.27 -41.13 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.625 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -54.24 -45.57 99.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -75.04 -19.85 17.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 43.2 mm -81.62 -45.81 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.48 HD23 ' CD2' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -67.37 -52.71 36.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 97' ' ' LEU . 1.5 mmpt? -39.67 -70.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.76 -74.77 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.1 112.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.3 m -118.22 171.95 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.44 95.86 0.12 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.068 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 87.32 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.8 p -101.12 -52.02 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.88 99.85 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.059 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.69 165.78 35.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -145.8 90.95 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.29 -156.04 26.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 m -117.98 -51.78 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.05 -46.86 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.82 110.37 1.22 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 11.1 mt -90.23 -64.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.04 -50.5 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -54.26 -50.98 52.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 50' ' ' PHE . 3.0 mt -53.03 -60.8 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.422 ' CG2' HD22 ' A' ' 62' ' ' LEU . 29.9 p -55.17 -18.95 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -121.02 36.76 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.82 -59.64 2.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.55 156.26 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.84 -32.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.408 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 72.7 t -139.85 114.03 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.544 ' HE2' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.33 140.51 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.5 tm? -137.67 104.6 5.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CE2' ' HE2' ' A' ' 18' ' ' MET . 94.6 m-85 -100.31 114.89 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 14.4 ptm -135.88 174.45 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -94.63 103.83 15.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.83 -31.44 3.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.54 171.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 5.8 mtmt -49.07 -55.36 12.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -41.66 -28.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -111.15 -142.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 27' ' ' GLU . . . 86.96 64.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.71 36.42 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.5 p -151.67 125.87 9.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 108.349 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' PHE . . . -41.21 -51.48 4.35 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -36.92 -40.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 111.014 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.479 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 68.7 m -92.39 -66.89 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -38.55 -47.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLU . 86.0 mt-30 -40.62 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 72' ' ' PRO . 3.2 tt -40.42 -43.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.433 ' CD2' ' OH ' ' A' ' 47' ' ' TYR . 3.0 mt -61.43 -51.16 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' GLN . 3.1 mm-40 -55.84 -45.53 78.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 HG21 ' CE ' ' A' ' 91' ' ' LYS . 15.4 mt -66.73 -51.19 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -48.05 -25.16 1.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ILE . 9.8 m-80 -89.42 -44.4 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.3 m -45.01 -40.55 6.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.4 p -53.45 -47.15 69.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.71 -15.28 52.82 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.125 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.406 ' CG1' ' HE3' ' A' ' 101' ' ' LYS . 26.7 m -66.94 -178.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.37 132.43 50.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.433 ' OH ' ' CD2' ' A' ' 37' ' ' LEU . 6.4 p90 -145.75 172.58 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -148.89 162.97 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 11.6 p -117.73 163.8 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CD1' HD22 ' A' ' 11' ' ' LEU . 76.4 t80 -142.12 166.32 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.1 115.06 28.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.504 HD12 ' CD2' ' A' ' 71' ' ' TYR . 1.5 pt -92.72 -22.77 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -69.68 -72.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -45.42 -64.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.05 66.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' ARG . 1.9 pt-20 -45.17 -57.87 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -38.84 -45.38 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ARG . 88.2 t -67.46 -46.22 83.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -37.78 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 6.3 pt20 -74.58 -43.63 54.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.501 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -45.17 -25.6 1.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' PHE . 4.9 mt -85.48 -51.51 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' O ' ' CA ' ' A' ' 67' ' ' ASN . 23.5 pttt -40.04 -45.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 m -72.91 -39.93 65.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' LEU . 4.5 t80 -49.9 -41.31 45.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ASN . 70.6 m -122.37 18.38 10.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.485 ' CA ' ' O ' ' A' ' 63' ' ' LYS . 8.9 m-20 39.62 42.86 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.45 ' CD1' ' O ' ' A' ' 70' ' ' THR . 4.6 t-105 -150.93 101.15 3.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' CA ' ' HB2' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -74.98 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.45 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 2.2 m -38.53 138.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.504 ' CD2' HD12 ' A' ' 52' ' ' ILE . 1.6 m-85 -130.28 165.23 35.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.93 -174.75 14.63 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.057 -2.476 . . . . 0.0 110.981 -0.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.48 ' OE1' ' CE1' ' A' ' 71' ' ' TYR . 59.5 mt-30 -136.31 145.46 45.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 132.44 56.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -121.83 128.22 51.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' ' CG2' ' A' ' 81' ' ' VAL . 16.9 t -137.1 133.56 47.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.37 14.27 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.79 -47.04 1.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.51 145.65 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.796 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -74.76 132.92 41.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 39.1 t -81.25 -54.39 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.63 -166.92 36.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.9 -167.36 37.57 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -57.24 11.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.13 -41.01 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' VAL . 0.7 OUTLIER -67.4 -69.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' ILE . 69.5 t -40.07 -50.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' HG2' ' CD1' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -56.46 -52.25 65.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -43.66 -52.32 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 96' ' ' LEU . 2.6 mm? -52.52 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' CE ' HG21 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -44.88 -46.88 11.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -39.16 -63.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -41.14 -51.9 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.26 46.34 0.17 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' HB3' ' HG2' ' A' ' 98' ' ' PRO . 29.6 mt-10 -146.32 -104.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.78 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 13.9 tp 69.97 -55.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.574 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.9 tm? -44.23 -47.97 24.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -22.09 15.19 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' LEU . 41.5 mm -77.57 -43.71 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -70.98 -56.08 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HE3' ' CG1' ' A' ' 45' ' ' VAL . 1.8 mmpt? -40.43 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.03 75.62 0.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -50.34 124.43 10.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.52 117.9 14.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.7 -74.8 1.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.47 39.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.5 t -116.86 133.29 56.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.1 p -141.26 163.38 33.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.48 -57.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.016 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t 65.22 142.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.57 -121.44 0.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t 60.72 78.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 p -45.21 -58.72 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.23 117.85 4.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD12 ' CG1' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.96 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -47.43 -46.07 26.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' LYS . 12.4 t -56.33 -45.89 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.611 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 1.6 mt -54.87 -58.17 8.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.4 p -61.51 -16.9 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -116.96 27.76 8.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -80.11 -62.14 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.66 153.35 29.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.97 -50.6 8.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.065 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.2 t -113.54 113.42 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.591 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -104.57 135.7 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.9 tm? -133.08 104.7 6.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 95.7 m-85 -96.65 126.73 42.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.463 ' HE2' ' CB ' ' A' ' 33' ' ' SER . 6.5 ptm -161.39 153.51 19.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' CG ' ' SG ' ' A' ' 30' ' ' CYS . 7.5 ptmt -82.85 117.14 22.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.23 -37.56 1.87 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.12 157.51 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.08 -39.92 6.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -44.95 -48.63 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -157.47 99.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.549 ' O ' ' C ' ' A' ' 29' ' ' LYS . . . -77.62 -87.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 29.01 82.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' SG ' ' CG ' ' A' ' 22' ' ' LYS . 44.2 t -170.04 75.02 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' PHE . . . 59.98 92.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' GLY . 8.7 m-85 34.7 61.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 0.783 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.484 ' HG ' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -91.43 -71.36 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -42.86 -36.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -44.95 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.444 ' CG2' HD13 ' A' ' 37' ' ' LEU . 6.2 tt -41.71 -48.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD13 ' CG2' ' A' ' 36' ' ' ILE . 8.8 mp -53.2 -53.64 47.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.33 -50.34 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.463 ' CG2' ' HE3' ' A' ' 91' ' ' LYS . 5.9 mt -61.38 -45.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -55.28 -28.41 53.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -84.33 -50.63 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -39.98 -52.61 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.465 ' CG2' HD21 ' A' ' 96' ' ' LEU . 11.4 p -38.72 -36.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.07 -14.8 64.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.402 HG12 ' CE ' ' A' ' 101' ' ' LYS . 22.8 m -69.52 -171.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.38 138.57 51.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 4.8 p90 -150.57 169.4 21.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -135.13 165.03 26.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.7 p -123.96 158.95 30.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.377 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 80.8 t80 -137.57 162.34 34.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -102.63 120.68 40.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 pt -93.81 -17.43 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 22' ' ' LYS . 2.3 mt -77.56 -59.79 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -42.83 -57.84 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.1 104.99 15.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -42.64 44.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.86 -46.98 60.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 8' ' ' LEU . 92.2 t -62.39 -45.56 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -53.03 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.403 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 2.8 pt20 -51.47 -37.06 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.25 -19.0 75.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' PHE . 8.5 mt -86.03 -63.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' ASN . 2.3 ptmt -42.87 -42.04 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.4 m -69.76 -38.99 76.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.8 t80 -49.81 -50.61 44.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -109.55 13.37 23.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' LYS . 20.0 t-20 40.31 36.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.531 ' CD1' ' NE2' ' A' ' 73' ' ' GLN . 30.5 t-105 -127.74 77.56 76.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.035 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 29.75 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.494 ' H ' ' C ' ' A' ' 68' ' ' TRP . 2.1 m -114.28 94.34 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.46 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.5 m-85 -91.64 163.51 27.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 -176.89 19.02 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.973 0.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.531 ' NE2' ' CD1' ' A' ' 68' ' ' TRP . 3.0 mt-30 -154.22 143.59 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.93 148.33 33.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.45 ' CE1' HD11 ' A' ' 80' ' ' LEU . 21.0 m-85 -134.74 127.72 31.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 78' ' ' GLY . 95.8 t -130.05 150.86 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -39.49 -31.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -67.16 -107.91 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -129.3 163.7 25.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.45 HD11 ' CE1' ' A' ' 75' ' ' TYR . 15.3 tp -58.51 95.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.8 t -44.46 -71.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.1 -157.2 27.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -99.54 -178.76 31.1 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.52 -64.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -40.89 -41.77 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.415 HG22 ' CD2' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -70.15 -66.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' ILE . 69.0 t -39.93 -60.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -46.6 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 86' ' ' ILE . 1.1 tp10 -53.08 -59.43 4.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.415 ' CD2' HG22 ' A' ' 86' ' ' ILE . 2.7 mm? -49.65 -55.51 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.5 -60.19 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -44.83 -55.41 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -57.25 -48.13 79.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.6 34.62 1.53 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -136.55 59.07 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.5 tp -128.6 -44.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.2 -45.87 98.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.98 -18.38 18.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.83 -35.01 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.489 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -75.63 -55.54 5.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' CE ' HG12 ' A' ' 45' ' ' VAL . 2.2 mmpt? -40.71 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . 152.81 83.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' GLY . 3.2 tt0 36.96 73.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.96 137.82 40.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.0 102.59 1.55 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 97.36 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.27 103.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.978 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 m 63.71 160.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -144.22 136.81 26.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m -148.59 123.96 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.67 -149.92 19.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -48.81 136.93 13.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.008 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -153.84 135.44 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.37 -57.92 0.47 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.557 1.16 . . . . 0.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 15.5 mt -72.93 -52.68 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -51.22 -46.34 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.82 -35.95 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.591 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 2.8 mt -68.93 -56.18 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -63.21 -14.56 50.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -121.23 23.35 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -60.05 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.76 157.33 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.15 -55.38 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -115.08 116.77 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.71 140.36 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.4 tm? -144.52 104.43 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.602 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 33.6 m-85 -90.65 105.92 18.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 17.7 ptm -126.75 166.35 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -101.25 124.84 47.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.9 -15.84 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER 64.9 165.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' CD ' ' CG2' ' A' ' 49' ' ' THR . 0.0 OUTLIER -46.4 -42.94 15.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -53.68 -50.76 65.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.94 109.08 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' CYS . . . -113.88 47.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 68.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 177.08 160.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 35' ' ' GLN . . . -83.34 -52.79 3.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 84' ' ' LEU . 6.6 m-85 -62.37 -42.08 99.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.469 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 49.9 m -54.2 -55.87 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -49.74 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 1.2 mm-40 -48.29 -71.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 tt -40.12 -45.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' CD1' ' HG3' ' A' ' 25' ' ' LYS . 10.3 mt -58.89 -61.04 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -43.35 -37.32 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 23.0 mt -77.81 -46.78 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 HD12 ' CD2' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -59.69 -23.76 63.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' LEU . 2.3 t30 -91.18 -41.92 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -40.73 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 p -40.71 -34.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.45 8.44 77.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' HD23 ' A' ' 97' ' ' LEU . 4.2 m -98.11 -167.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.07 132.41 50.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -146.32 167.09 24.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -142.21 174.28 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.518 ' CG2' ' CD ' ' A' ' 25' ' ' LYS . 9.0 p -131.86 167.38 19.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 75.4 t80 -141.47 156.17 45.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 2.9 p30 -92.74 111.53 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.51 -18.27 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' CD1' ' HB2' ' A' ' 22' ' ' LYS . 19.9 mt -82.11 -64.28 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.64 -55.54 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.31 104.01 16.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.49 -34.4 41.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -57.81 -56.64 19.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 62' ' ' LEU . 69.0 t -60.68 -36.75 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -55.22 -57.09 13.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -72.75 -26.42 61.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -75.43 -24.65 70.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.542 HD13 ' CE2' ' A' ' 20' ' ' PHE . 5.2 mt -85.74 -59.57 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.767 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.96 -30.62 10.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 m -80.49 -27.79 37.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.1 t80 -90.8 -14.37 32.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.5 p -112.39 -30.1 7.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' LYS . 17.1 t30 69.31 34.19 3.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.557 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 4.0 t-105 -140.18 70.27 34.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 32.61 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.557 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 4.4 m -101.44 -56.59 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.473 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.5 m-85 55.48 162.41 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.02 168.35 77.7 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.996 -0.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.405 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 5.9 mm-40 -132.93 152.73 51.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 tp -114.03 117.07 30.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 60.0 m-85 -114.61 128.99 56.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 p -125.38 167.8 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.0 -41.9 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.34 -120.22 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.04 170.59 11.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 75' ' ' TYR . 3.9 tt -42.58 122.37 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.46 -43.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 86' ' ' ILE . . . 129.41 163.91 11.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.29 -179.35 2.14 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 32' ' ' PHE . 2.0 tm? -53.93 -48.26 70.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -30.37 13.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 82' ' ' GLY . 1.6 mt -84.44 -62.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.2 t -41.31 -63.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -49.16 11.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.76 -55.6 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.66 -64.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.467 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -41.28 -56.68 2.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.31 -56.5 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -55.4 -43.83 75.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.7 33.24 3.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -135.68 45.6 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.488 ' CD2' HD23 ' A' ' 100' ' ' LEU . 6.0 tp -112.88 -38.83 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.5 tm? -53.4 -45.77 98.33 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -11.67 21.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.5 mm -92.39 -30.15 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.488 HD23 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -82.95 -54.73 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.449 ' CG ' HD12 ' A' ' 97' ' ' LEU . 22.0 mmtt -49.47 -56.47 9.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.24 88.88 1.87 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.03 169.29 12.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 110.247 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 m -128.48 152.98 47.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.86 99.01 2.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 18.4 Cg_endo -74.99 -31.64 6.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.435 1.755 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.56 -78.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' PRO . 22.5 t -101.76 114.56 28.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -117.71 107.91 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.741 . . . . 0.0 110.041 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -123.05 166.3 15.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.95 -117.99 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.76 -49.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -94.2 123.89 37.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -140.83 111.3 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -94.24 -65.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -48.12 -47.09 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.469 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 3.8 p -54.29 -40.43 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD21 ' CZ ' ' A' ' 50' ' ' PHE . 42.8 tp -65.64 -48.78 71.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.458 ' CG2' HD22 ' A' ' 62' ' ' LEU . 39.8 p -65.29 -13.93 59.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -121.55 34.98 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -75.05 -64.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.47 162.25 13.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 t -43.71 -41.33 4.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.434 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 83.6 t -129.93 116.47 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.421 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -96.58 134.09 40.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 36' ' ' ILE . 1.7 tm? -128.33 105.99 8.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 53.1 m-85 -97.14 120.09 36.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.416 ' CE ' ' HB2' ' A' ' 33' ' ' SER . 11.3 ptm -154.14 173.87 15.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -95.82 107.31 19.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.18 -29.08 5.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER 57.21 168.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HG2' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -40.29 -36.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -55.84 -49.04 74.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ASN . 27.1 tt0 -126.94 124.56 39.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.99 -148.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt 66.61 43.01 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.04 136.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.01 32.72 73.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 54.06 40.65 31.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' LYS . 6.9 p -82.41 -70.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.8 tptm -36.92 -38.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -45.49 -66.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' A' ' 37' ' ' LEU . 6.6 tt -49.5 -41.3 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 36' ' ' ILE . 10.0 mp -60.61 -61.33 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -42.14 -46.1 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.455 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 26.3 mt -71.88 -47.7 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -50.81 -25.86 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -88.55 -46.98 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 m -44.88 -46.01 10.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.923 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -43.75 -35.74 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.63 -12.33 70.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -74.87 -174.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -110.64 141.58 43.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.434 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 11.7 p90 -150.7 175.86 11.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.63 170.13 16.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.8 p -125.46 157.86 35.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 51' ' ' ASP . 92.7 t80 -139.25 164.69 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 2.4 p30 -95.83 120.7 36.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -96.4 -20.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -61.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.67 -52.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.56 95.06 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.61 -56.08 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -39.16 -51.02 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 62' ' ' LEU . 90.6 t -57.03 -49.26 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.4 ttp180 -54.12 -67.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.18 -40.81 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.8 -24.89 75.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 HD22 ' CG2' ' A' ' 12' ' ' THR . 7.3 mt -76.58 -60.4 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -51.07 -35.81 36.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.5 m -76.07 -25.02 55.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.448 ' CD2' HD23 ' A' ' 8' ' ' LEU . 6.3 t80 -62.7 -40.39 97.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.9 m -122.54 12.27 10.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' LYS . 6.0 t-20 46.52 38.34 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -130.06 79.35 73.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.028 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.29 9.1 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.8 m -84.31 100.99 11.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.495 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 13.4 m-85 -104.76 158.25 32.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.9 171.52 67.54 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.057 -0.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.489 ' OE1' ' CE2' ' A' ' 75' ' ' TYR . 4.8 pt20 -143.07 145.41 32.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -94.43 132.87 38.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.489 ' CE2' ' OE1' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -122.78 127.02 48.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t -130.73 168.48 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -74.04 62.11 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.99 -99.54 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -128.19 139.62 52.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp -47.48 105.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -54.69 -68.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.5 -164.42 33.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.22 -167.55 34.29 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -46.6 -62.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.73 -35.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' VAL . 0.9 OUTLIER -81.78 -66.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 74' ' ' LEU . 74.8 t -40.23 -50.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -50.31 73.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.08 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.43 -58.35 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -54.21 -48.27 71.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' HD3' ' CG2' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -52.26 -67.27 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -40.38 -61.43 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -50.89 -48.13 60.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.87 46.08 0.85 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -143.96 57.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 7.5 tp -130.3 -47.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.54 -46.26 95.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.99 -16.65 20.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 33.6 mm -86.37 -41.82 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.486 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -70.4 -51.54 28.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -43.32 -77.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.65 82.41 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -73.27 -39.52 65.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.2 t -115.4 130.52 56.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.01 -83.62 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 63.19 5.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 t -55.23 110.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.0 m -143.06 -58.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.52 90.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -68.57 -54.62 15.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.89 169.29 16.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.55 -54.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -112.06 163.03 14.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.63 170.6 14.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.489 HD21 ' CD2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -93.07 -65.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -44.14 -48.78 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' LYS . 5.4 p -52.89 -41.11 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.609 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 1.4 mt -60.87 -51.32 69.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.44 ' CG2' ' CD2' ' A' ' 62' ' ' LEU . 74.5 p -67.08 -11.1 56.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -124.82 25.15 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -76.72 -63.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.72 162.08 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.12 -41.89 68.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 74' ' ' LEU . 53.1 t -123.39 106.24 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.561 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.17 142.95 26.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.33 112.29 6.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.561 ' CZ ' ' HE2' ' A' ' 18' ' ' MET . 89.6 m-85 -110.54 115.44 29.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.477 ' HE3' ' CB ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -146.28 178.82 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HG2' ' CD2' ' A' ' 53' ' ' LEU . 18.2 mtmt -95.31 101.9 13.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.37 -34.14 1.93 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.94 168.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 5.6 mtmt -55.55 -31.62 62.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -44.19 -47.97 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -178.25 95.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' CB ' ' HE3' ' A' ' 21' ' ' MET . . . -39.9 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.03 42.66 9.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.54 -41.39 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.338 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.14 -28.56 14.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' GLN . 46.4 m-85 -118.32 -59.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.472 ' CB ' ' SD ' ' A' ' 21' ' ' MET . 16.4 m -39.45 -53.34 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' SER . 9.2 tptt -37.43 -40.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' PHE . 17.9 mm100 -49.79 -64.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 37' ' ' LEU . 3.5 tt -45.75 -42.16 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 36' ' ' ILE . 9.1 mp -62.43 -52.11 64.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.52 -46.41 57.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mt -70.83 -48.24 58.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -50.95 -24.0 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.43 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 78.3 m-20 -86.86 -35.4 19.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -47.34 65.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -48.06 -32.93 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.0 21.28 67.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 97' ' ' LEU . 18.8 m -96.73 -170.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -86.37 121.38 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 5.5 p90 -150.95 174.22 13.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.3 -177.55 6.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p -147.12 145.76 29.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.609 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 65.7 t80 -125.13 167.45 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.486 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -107.79 123.01 47.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 2.8 pt -95.46 -28.12 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CD2' ' HG2' ' A' ' 22' ' ' LYS . 3.6 mt -67.17 -59.89 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.22 -64.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.64 96.78 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -41.5 82.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -47.38 -42.06 21.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.92 -46.5 52.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.415 ' CG ' ' HD2' ' A' ' 63' ' ' LYS . 20.9 ttp180 -43.33 -67.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 61' ' ' GLY . 4.7 pt20 -56.36 -35.07 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 60' ' ' GLN . . . -62.83 -63.9 4.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.543 HD12 ' CE2' ' A' ' 20' ' ' PHE . 16.7 mt -48.09 -53.3 16.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 67' ' ' ASN . 29.1 mtpt -50.4 -31.15 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.8 m -84.59 -48.03 9.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CD2' HD21 ' A' ' 8' ' ' LEU . 3.0 t80 -52.42 -26.72 13.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 58.2 m -113.58 -30.62 6.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 66' ' ' SER . 37.1 t30 79.9 39.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.492 ' C ' ' H ' ' A' ' 70' ' ' THR . 1.2 t-105 -134.11 68.0 73.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.472 ' CB ' ' HE2' ' A' ' 63' ' ' LYS . 18.5 Cg_endo -74.96 34.78 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.492 ' H ' ' C ' ' A' ' 68' ' ' TRP . 7.9 m -111.98 -47.82 3.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.474 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.3 m-85 55.69 161.93 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 171.59 67.35 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.028 -0.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.435 ' NE2' ' CD2' ' A' ' 68' ' ' TRP . 1.8 mt-30 -143.99 133.85 23.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -104.25 152.78 21.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.418 ' N ' HD13 ' A' ' 74' ' ' LEU . 91.7 m-85 -139.59 139.39 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.9 p -136.91 164.88 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -39.23 -40.96 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.274 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.38 -120.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.14 175.22 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 0.725 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.86 104.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -45.88 -67.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.96 179.04 29.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.86 -165.73 1.7 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.32 -45.66 79.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -30.35 52.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.84 -67.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.0 t -40.52 -55.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -57.01 12.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -40.27 -50.97 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' LYS . 2.4 mm? -61.52 -67.78 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' LEU . 18.1 tptp -40.37 -49.92 2.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -53.15 -51.66 61.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -63.51 -42.18 98.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.91 42.87 2.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -145.85 56.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.485 ' CD2' HD23 ' A' ' 100' ' ' LEU . 6.6 tp -118.37 -40.11 2.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.7 tm? -53.66 -45.81 98.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.97 -10.32 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 111.025 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.0 mm -94.32 -31.79 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.485 HD23 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -80.09 -53.68 6.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.451 ' CG ' HD12 ' A' ' 97' ' ' LEU . 14.7 mmtt -50.85 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.52 -87.17 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -123.62 -64.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.3 p -147.63 104.02 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -99.41 109.06 3.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -52.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.3 p 56.19 172.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.94 84.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 110.02 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -59.91 127.65 32.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -83.14 169.58 15.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.16 -131.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 t -127.59 -57.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.69 134.74 14.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.86 140.31 2.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 12.2 mt -94.2 -47.96 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -47.27 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.8 p -47.27 -54.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.576 HD23 ' CD2' ' A' ' 50' ' ' PHE . 5.2 tp -53.73 -52.22 60.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.9 p -63.89 -12.4 36.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -126.68 28.66 5.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' VAL . 6.0 tttm -74.0 -57.13 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . . . -118.3 155.25 30.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -40.0 -53.43 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 79.0 t -118.1 111.4 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.573 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.98 145.34 24.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.1 tm? -146.85 105.83 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CZ ' ' HE3' ' A' ' 18' ' ' MET . 96.8 m-85 -98.46 123.78 42.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 33' ' ' SER . 4.3 ptm -149.64 178.39 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -102.92 123.66 46.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.43 -16.88 37.52 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 57.24 174.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 0.815 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE2' ' CE1' ' A' ' 47' ' ' TYR . 6.8 mtmt -46.56 -35.6 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -58.26 -63.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.81 123.38 46.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.35 -144.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm 66.67 41.87 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -133.72 117.59 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.63 -92.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' CYS . 93.2 m-85 -137.07 19.77 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.461 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 2.9 p -57.0 -46.08 82.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -80.76 -50.78 9.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -39.4 -58.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.6 tt -56.39 -40.97 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LYS . 8.1 mt -61.93 -45.52 93.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -56.18 -43.29 78.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.474 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 46.7 mt -74.94 -46.44 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -50.04 -23.6 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -91.62 -55.35 3.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.79 -40.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 p -44.99 -42.89 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.34 -2.13 67.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.462 ' CG1' HD23 ' A' ' 97' ' ' LEU . 13.0 m -83.47 -169.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.49 128.71 56.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.447 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 10.8 p90 -142.9 171.77 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . 3.5 mm-40 -144.57 167.88 21.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -127.49 163.75 23.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CD2' HD23 ' A' ' 11' ' ' LEU . 80.9 t80 -137.48 167.56 21.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.6 115.5 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -93.31 -27.08 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -64.4 -73.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.75 -68.86 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.89 89.11 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.8 -46.89 56.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.88 -42.64 5.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.5 t -78.73 -38.66 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -40.86 -45.35 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -91.77 -36.45 13.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -59.83 -30.67 69.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' PHE . 1.4 mt -79.51 -67.38 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -39.72 -41.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 m -68.95 -45.34 70.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.0 t80 -46.9 -64.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -79.23 -30.02 43.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 66' ' ' SER . 40.6 t30 80.39 37.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.422 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 23.9 t-105 -138.35 79.01 31.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.428 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 0.66 8.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.1 m -82.59 64.54 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.491 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.1 m-85 -67.41 159.7 76.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.98 -176.69 18.58 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.028 -0.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -159.38 136.54 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.65 158.76 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -131.79 127.73 37.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.404 ' CG2' HG21 ' A' ' 81' ' ' VAL . 87.9 t -126.93 125.83 67.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 69.74 -66.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.5 -41.85 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -74.3 134.82 42.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.747 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 132.6 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.404 HG21 ' CG2' ' A' ' 76' ' ' VAL . 39.5 t -87.16 -61.64 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.47 -174.14 34.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.42 ' O ' ' CG2' ' A' ' 87' ' ' VAL . . . -96.37 -141.36 11.94 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.14 -60.17 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.52 -33.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.1 mp -86.3 -66.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 83' ' ' GLY . 49.6 t -39.7 -58.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -50.09 -51.71 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 8.9 tt0 -42.46 -46.4 4.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.28 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.474 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -45.64 -66.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -42.11 -57.06 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 89' ' ' GLU . 61.0 m-20 -52.9 -40.72 63.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 91' ' ' LYS . . . 105.18 37.3 2.71 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -141.42 54.72 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.473 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 7.0 tp -125.44 -43.96 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tm? -52.39 -46.08 94.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.03 -20.78 16.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.575 1.829 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -81.51 -40.54 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.473 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -71.35 -55.75 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 100' ' ' LEU . 2.2 mmpt? -39.8 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.52 -70.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.55 160.07 14.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.8 t -96.09 139.82 31.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -130.27 156.65 21.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 84.37 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.86 80.1 9.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 39.1 m 43.56 78.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -125.34 97.87 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.6 88.1 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.97 -165.48 29.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.99 89.68 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -68.66 152.99 44.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.91 148.5 10.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.8 mt -88.65 -55.01 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -51.38 -47.52 62.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.59 -32.36 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.491 HD13 ' CE1' ' A' ' 50' ' ' PHE . 33.1 tp -75.92 -45.53 34.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.0 p -68.22 -12.91 61.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -115.98 23.75 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.89 158.83 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -44.27 -49.85 9.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 90.1 t -119.49 112.95 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.517 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.61 143.26 27.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.477 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.9 tm? -142.4 106.3 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.517 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 73.7 m-85 -97.93 104.89 16.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.1 ptm -127.95 164.51 22.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -96.66 107.23 19.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.71 -19.08 4.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER 58.65 158.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.67 -30.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 24' ' ' ASN . 66.2 mm-40 -55.35 -62.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.62 145.46 48.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.53 -159.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.61 29.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.6 m 61.64 107.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 108.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 68.31 177.46 13.02 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 51.97 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 0.793 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.7 OUTLIER -54.74 -33.41 61.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.03 -43.17 12.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -61.51 -60.48 3.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.447 ' CD1' HD22 ' A' ' 19' ' ' LEU . 5.4 tt -41.48 -44.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.6 -62.17 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -46.43 -37.32 7.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.8 mt -73.15 -52.73 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 HD11 ' CG ' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -52.55 -24.76 8.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.56 -45.24 9.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -46.02 26.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -41.82 -37.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.9 -4.5 71.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 97' ' ' LEU . 18.7 m -81.7 -170.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CG ' ' HB2' ' A' ' 16' ' ' SER . 12.7 pt-20 -108.18 137.04 46.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.427 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 10.7 p90 -150.82 174.86 12.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -147.91 164.67 33.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.5 p -125.24 145.29 50.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 51' ' ' ASP . 86.4 t80 -119.73 167.14 12.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.506 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 15.3 p-10 -99.4 111.06 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -90.88 -28.63 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.79 -68.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -39.13 -55.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.68 103.12 15.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.55 -45.65 17.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -48.72 -43.34 37.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.8 t -75.42 -33.45 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -53.14 -60.88 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.454 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 4.4 pt20 -70.77 -31.21 67.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.21 -44.2 94.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' PHE . 5.4 mt -64.74 -65.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.76 -36.55 5.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.4 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 8.8 m -73.53 -35.88 65.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.9 t80 -51.69 -42.17 61.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -122.32 16.56 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.037 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' LYS . 21.8 t-20 42.22 37.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -129.51 82.68 66.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.67 18.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.6 m -57.67 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.554 ' CD1' ' OE1' ' A' ' 73' ' ' GLN . 6.8 m-85 -95.18 163.31 22.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 178.32 35.21 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.005 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.554 ' OE1' ' CD1' ' A' ' 71' ' ' TYR . 18.3 mt-30 -139.3 134.03 32.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.63 135.31 42.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.562 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 68.3 m-85 -129.74 136.47 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.26 177.68 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -69.76 59.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.47 -119.24 0.48 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -115.13 149.77 37.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 75' ' ' TYR . 5.3 tt -42.55 110.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.3 t -59.77 -59.63 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.442 ' N ' HD23 ' A' ' 80' ' ' LEU . . . 149.96 -158.58 27.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.73 -152.99 23.28 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.33 -59.93 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -41.63 -45.77 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 87' ' ' VAL . 1.1 mp -65.28 -67.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.413 ' N ' HG21 ' A' ' 86' ' ' ILE . 56.1 t -43.0 -55.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -56.58 17.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 18.6 tt0 -44.2 -67.15 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 94' ' ' GLY . 2.4 mt -48.26 -60.9 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -45.34 -35.52 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 9.3 t0 -56.41 -65.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 90' ' ' LEU . 27.6 p30 -67.48 -19.26 65.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . 84.85 54.87 2.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -134.86 37.61 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.484 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 4.6 tp -116.88 -38.24 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tm? -54.9 -45.01 99.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.02 -28.2 9.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.4 mm -76.34 -33.14 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.484 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -76.37 -61.06 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.364 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -38.48 -70.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . 104.57 79.99 1.36 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' GLY . 3.1 tt0 37.09 76.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.2 p -171.58 151.03 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.09 88.47 0.89 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 87.26 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.2 m -150.59 159.34 44.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.973 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.06 155.56 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -76.71 131.95 39.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 110.021 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.82 116.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.44 -174.46 13.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.0 150.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.32 -57.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.085 . . . . 0.0 109.975 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.58 143.88 9.8 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.504 1.128 . . . . 0.0 110.958 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 10.8 mt -89.12 -54.13 4.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -45.37 -49.55 12.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.16 -39.18 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.553 HD13 ' CZ ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -67.3 -46.55 73.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -73.63 -5.56 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -128.22 18.87 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -57.47 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.74 176.83 4.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -59.99 -59.69 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 54.5 t -111.76 112.72 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.475 ' SD ' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.2 134.33 35.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 40' ' ' LEU . 2.2 tm? -137.64 107.06 6.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 69.4 m-85 -98.1 124.87 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.401 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 3.5 ptt? -148.85 178.19 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.29 121.92 44.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 24' ' ' ASN . . . 120.65 -20.96 8.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 58.89 157.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -42.92 -40.1 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -44.12 -51.26 8.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -137.13 133.33 35.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.5 -167.76 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -110.58 -37.64 5.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 5.4 t 85.64 57.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.93 -36.89 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -135.38 -73.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.761 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.401 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 1.4 m -42.51 -43.18 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -75.81 -48.22 22.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.8 -70.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CG2' HD11 ' A' ' 19' ' ' LEU . 4.1 tt -42.87 -41.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.23 -61.86 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -42.8 -38.6 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CG2' ' HE3' ' A' ' 91' ' ' LYS . 5.3 mt -75.96 -51.0 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' CD2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.84 -23.06 11.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.426 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 1.4 m-20 -92.95 -38.3 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -51.51 -25.96 7.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 p -67.19 -31.07 71.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.71 -7.69 68.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.432 1.083 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.89 -170.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.86 134.63 45.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.455 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 31.7 p90 -150.2 176.9 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.29 -176.78 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 p -143.05 163.98 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' HB3' ' CD1' ' A' ' 20' ' ' PHE . 83.6 t80 -145.6 167.13 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 12.0 t0 -102.25 124.88 48.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -101.68 -21.85 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -69.21 -67.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.54 -66.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.65 87.44 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' ARG . 18.7 mt-10 -63.84 -50.77 67.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -42.82 -44.82 4.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' LEU . 85.1 t -67.72 -39.81 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' GLU . 49.9 ttt180 -46.37 -52.1 13.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -88.7 -23.34 23.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.501 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -70.67 -26.86 73.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' VAL . 4.8 mt -88.11 -63.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -41.72 -36.62 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.8 m -70.49 -61.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -40.5 -59.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.1 OUTLIER -76.66 -29.48 56.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.4 t30 76.22 38.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.477 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 1.9 t-105 -152.44 95.02 3.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.48 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.477 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -38.33 103.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.463 ' CB ' ' HA ' ' A' ' 72' ' ' PRO . 1.5 m-85 -107.52 165.76 12.23 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.463 ' HA ' ' CB ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 -173.43 12.32 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.454 ' NE2' ' CD1' ' A' ' 68' ' ' TRP . 30.0 mt-30 -158.43 135.83 10.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.528 ' CB ' HG21 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -99.24 156.35 17.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -127.62 125.65 40.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 79' ' ' ASP . 70.1 t -137.86 132.83 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 45.01 29.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.61 38.81 78.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' VAL . 19.9 t70 -124.38 134.79 53.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.412 ' CD2' ' CB ' ' A' ' 68' ' ' TRP . 33.5 tp -82.07 93.78 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.528 HG21 ' CB ' ' A' ' 74' ' ' LEU . 2.7 m -44.82 -65.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.05 -179.59 20.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -49.7 -178.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -54.31 42.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -48.15 -35.19 11.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 87' ' ' VAL . 0.9 OUTLIER -64.58 -72.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.427 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 72.0 t -40.42 -56.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -49.29 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -45.67 -58.75 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 96' ' ' LEU . 2.9 mm? -47.1 -40.2 14.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.499 ' HE3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -66.27 -48.79 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.8 -45.96 81.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -69.51 -58.15 4.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.17 55.33 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 2.3 mt-10 -148.14 51.16 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 4.1 tp -118.93 -63.54 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -48.57 -46.72 70.9 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.06 -9.41 20.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.779 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 8.9 mm -95.49 -38.03 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -76.72 -47.77 20.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -45.39 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 172.91 -79.25 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -144.19 -177.29 5.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.734 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.75 122.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.04 73.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.86 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.8 -67.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 p -88.12 -42.58 12.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 62.01 116.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.009 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -110.98 154.37 24.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.21 -139.4 7.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.88 153.29 20.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.75 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.82 136.63 54.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.39 129.58 1.48 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' CD1' ' C ' ' A' ' 61' ' ' GLY . 10.6 mt -93.0 -54.19 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -48.79 15.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -46.98 -42.68 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 50' ' ' PHE . 39.4 tp -62.1 -62.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 62' ' ' LEU . 44.0 p -53.68 -22.48 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -108.12 25.66 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -70.24 -59.16 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.57 167.35 10.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -54.86 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.8 t -120.34 118.48 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.519 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 3.1 mmm -102.6 150.68 23.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.488 ' CG ' HD13 ' A' ' 40' ' ' LEU . 1.4 tm? -148.86 105.85 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.362 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CZ ' ' HE2' ' A' ' 18' ' ' MET . 83.7 m-85 -94.02 131.54 39.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 21.4 ptm -159.67 176.13 12.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' CG ' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -100.99 111.52 23.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 24' ' ' ASN . . . 133.17 -38.53 1.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.427 1.08 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER 77.21 164.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 0.726 . . . . 0.0 109.258 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -47.87 -45.16 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -43.2 -49.34 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.72 99.5 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -74.71 -19.6 60.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER 89.04 -36.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 3.8 t 89.63 142.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 108.258 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 82.56 109.6 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 67.45 -67.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.744 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 11.2 m -52.35 -59.22 4.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.046 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -64.46 -33.2 75.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -47.49 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 110.24 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.475 ' CG2' HD12 ' A' ' 37' ' ' LEU . 6.8 tt -40.64 -51.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD12 ' CG2' ' A' ' 36' ' ' ILE . 7.1 mp -48.3 -61.55 1.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -46.53 -47.76 19.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.468 HG23 ' CE ' ' A' ' 91' ' ' LYS . 22.8 mt -62.54 -47.04 94.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.488 HD13 ' CG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -59.65 -22.56 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -92.15 -39.78 11.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.1 -45.92 61.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.958 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 p -47.0 -31.15 3.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.45 -21.92 29.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.427 HG13 ' CE ' ' A' ' 101' ' ' LYS . 20.0 m -55.95 -172.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 9.0 pt-20 -114.79 122.25 45.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -134.61 173.93 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -145.82 166.55 25.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.2 p -126.17 166.87 16.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CD1' HD11 ' A' ' 11' ' ' LEU . 91.8 t80 -135.89 159.45 41.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -99.82 111.66 23.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -91.02 -22.71 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD12 ' CG ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -62.57 -68.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -43.34 -69.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.65 95.86 8.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.93 -40.04 65.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -50.91 -43.64 59.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.553 HG11 ' CE2' ' A' ' 50' ' ' PHE . 85.1 t -66.69 -40.32 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -59.0 -49.75 76.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -75.13 -30.28 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.43 ' C ' ' CD1' ' A' ' 8' ' ' LEU . . . -73.51 -34.79 56.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' PHE . 5.4 mt -68.96 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.86 -38.79 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.411 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 7.3 m -69.17 -24.05 64.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -88.53 -55.53 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.403 ' OG ' ' OH ' ' A' ' 75' ' ' TYR . 3.8 m -72.01 -29.64 64.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LYS . 9.3 t-20 74.61 33.31 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.413 ' NE1' ' O ' ' A' ' 70' ' ' THR . 28.5 t-105 -147.85 85.75 6.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 108.025 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -6.35 17.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.413 ' O ' ' NE1' ' A' ' 68' ' ' TRP . 4.2 m -82.9 81.31 8.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.446 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.8 m-85 -71.11 164.54 55.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.02 -173.98 13.31 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.003 0.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.411 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 8.5 mt-30 -136.93 159.47 41.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -124.96 130.53 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.412 ' N ' HD13 ' A' ' 74' ' ' LEU . 94.1 m-85 -126.93 127.06 44.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' ' 74' ' ' LEU . 69.4 t -137.24 138.78 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.73 -71.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -167.37 -41.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -76.29 159.96 30.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.94 133.05 35.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.9 t -84.46 -60.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . 163.01 -171.08 38.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.35 -165.42 32.26 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.54 -58.38 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -44.37 -36.71 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.406 HG22 ' CD2' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -76.75 -64.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.0 t -41.87 -49.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -49.36 77.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -47.31 -52.9 14.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.406 ' CD2' HG22 ' A' ' 86' ' ' ILE . 2.7 mm? -59.34 -60.54 3.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.468 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -46.06 -58.41 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -44.11 -63.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -54.08 -36.78 63.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.2 37.98 3.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -134.38 52.19 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 5.5 tp -129.66 -45.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.9 -46.28 97.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.0 -9.4 20.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mm -94.02 -39.13 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -76.19 -48.23 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.427 ' CE ' HG13 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -46.16 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.47 -78.07 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -137.92 171.79 13.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.7 t -64.38 96.2 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.84 99.69 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.423 1.077 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 124.62 8.74 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.6 t -92.53 144.3 25.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -55.0 6.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.26 -59.78 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.37 99.69 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.62 -133.68 30.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.25 100.54 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.92 119.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' CA ' ' CG1' ' A' ' 10' ' ' VAL . . . -108.59 90.81 0.63 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.577 HD21 ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -89.31 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.91 -42.3 26.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.445 ' CG1' ' CA ' ' A' ' 7' ' ' GLY . 2.2 p -60.25 -35.21 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 50' ' ' PHE . 29.9 tp -68.12 -65.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.4 p -50.38 -22.07 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -109.84 32.57 4.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.1 tttm -73.77 -66.35 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.28 -178.81 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.14 -34.98 79.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 64.9 t -133.11 108.4 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.457 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.69 131.82 37.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 40' ' ' LEU . 2.6 tm? -133.65 105.73 7.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.574 ' CE1' HD12 ' A' ' 62' ' ' LEU . 84.5 m-85 -90.23 113.48 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.4 ptm -140.82 174.9 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -115.64 134.11 55.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . 102.65 13.14 30.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 54.7 -179.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' CE ' ' OG1' ' A' ' 49' ' ' THR . 0.4 OUTLIER -67.27 -47.42 70.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -52.28 -62.12 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -79.56 104.95 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -162.66 -165.21 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 87.73 35.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 m -96.54 25.25 5.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 108.267 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.72 46.83 92.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.451 ' CD1' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER 170.37 -31.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 111.002 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.45 -44.5 14.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 29' ' ' LYS . 5.0 tptm -76.61 -51.37 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -37.59 -64.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.417 ' CD1' HD22 ' A' ' 19' ' ' LEU . 5.7 tt -48.56 -44.15 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' LYS . 3.6 mt -62.53 -61.92 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.9 -38.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.463 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 5.5 mt -78.24 -53.43 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -47.29 -30.0 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' OD1' ' CE2' ' A' ' 47' ' ' TYR . 3.0 m-20 -84.54 -35.97 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' ILE . 70.2 m -51.44 -45.73 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 p -48.44 -31.03 5.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.41 -7.19 61.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -73.64 -170.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -103.45 132.69 49.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CE2' ' OD1' ' A' ' 41' ' ' ASN . 8.9 p90 -143.37 173.8 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -149.65 175.47 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.498 ' OG1' ' CE ' ' A' ' 25' ' ' LYS . 39.9 p -134.77 154.55 51.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 11' ' ' LEU . 89.6 t80 -128.79 166.77 18.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.37 99.56 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.35 -19.53 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -70.1 -65.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.86 -84.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.27 111.31 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -82.14 -51.58 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -46.38 -42.0 14.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' LEU . 48.8 t -65.78 -41.1 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -59.83 -65.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.5 -39.66 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.31 -38.1 81.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 20' ' ' PHE . 10.6 mt -70.53 -63.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.06 -31.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.2 m -81.71 -51.95 7.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.577 ' CD1' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -40.36 -33.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -113.43 -30.29 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 63' ' ' LYS . 34.0 t30 79.76 40.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.529 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 8.6 t-105 -135.61 71.57 64.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 31.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.529 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 99.2 m -97.99 -56.05 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.477 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.9 m-85 55.5 161.93 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.1 Cg_endo -75.04 164.58 88.06 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.973 0.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.437 ' NE2' ' CD1' ' A' ' 80' ' ' LEU . 2.8 mt-30 -137.69 154.67 49.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.443 ' HG ' ' CG2' ' A' ' 81' ' ' VAL . 1.0 OUTLIER -113.22 140.2 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -124.93 130.73 52.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.5 t -125.05 161.74 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.11 -45.07 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.42 -108.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -128.42 171.92 11.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' CD1' ' NE2' ' A' ' 73' ' ' GLN . 4.4 tp -54.83 127.87 30.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.443 ' CG2' ' HG ' ' A' ' 74' ' ' LEU . 18.5 t -74.71 -63.08 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 86' ' ' ILE . . . 148.39 -179.32 25.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.1 -173.5 20.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 32' ' ' PHE . 33.7 tp -57.1 -52.73 64.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.23 -36.16 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.4 ' CG2' ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -74.33 -64.47 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.9 t -43.11 -59.9 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -54.41 6.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -44.37 -57.01 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.32 -55.92 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.08 -55.59 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.2 -54.92 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -54.5 -54.2 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.71 36.99 0.93 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 0.9 OUTLIER -140.29 51.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.263 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 100' ' ' LEU . 5.5 tp -122.6 -42.55 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.612 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.0 tm? -52.78 -45.96 96.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.02 -19.92 17.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 38.6 mm -82.54 -39.95 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -72.8 -54.48 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -39.99 -66.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.26 83.47 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -116.87 152.21 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.46 -61.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.39 -147.76 12.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.61 5.22 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.534 1.808 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.72 -65.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.96 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.8 m 57.2 86.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.31 111.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -168.09 -60.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.051 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.67 -169.21 19.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.68 -62.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 p -97.54 148.9 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.45 144.93 9.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.572 HD22 ' CD2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -93.65 -64.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.34 -46.8 4.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' LYS . 8.1 p -56.21 -47.7 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 50' ' ' PHE . 1.7 mt -48.59 -57.78 5.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 p -60.51 -21.33 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -115.99 34.14 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -86.83 -55.34 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -117.22 155.77 28.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -38.98 -62.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.412 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 98.7 t -111.2 117.56 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.556 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -98.45 141.95 30.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' A' ' 36' ' ' ILE . 1.5 tm? -143.16 104.27 4.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CE2' HD12 ' A' ' 62' ' ' LEU . 95.0 m-85 -93.2 131.01 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.4 ptm -146.76 178.8 8.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' HE3' ' CD1' ' A' ' 52' ' ' ILE . 19.9 mttp -109.65 105.33 14.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 24' ' ' ASN . . . 130.73 -33.37 2.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER 79.06 160.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -32.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -48.39 -56.46 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -137.09 133.13 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' CB ' ' OG ' ' A' ' 33' ' ' SER . . . -106.64 108.12 19.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.63 33.4 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.7 t -108.1 66.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 108.325 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.95 91.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 52.67 53.31 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 111.01 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 34' ' ' LYS . 11.1 p -79.63 -63.82 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' N ' ' OG ' ' A' ' 33' ' ' SER . 5.9 pttp -38.68 -40.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -43.64 -61.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' CD1' HD23 ' A' ' 19' ' ' LEU . 6.2 tt -53.24 -38.94 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 ' CD1' HG21 ' A' ' 36' ' ' ILE . 9.3 mp -64.06 -49.18 73.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.84 -40.02 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.486 HG23 ' CE ' ' A' ' 91' ' ' LYS . 24.3 mt -73.42 -50.06 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -51.35 -22.56 2.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -90.04 -40.67 12.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.15 -44.44 21.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.8 p -48.87 -49.54 39.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.87 -18.03 22.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 101' ' ' LYS . 34.2 m -65.6 -179.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -113.09 122.7 48.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 47' ' ' TYR . 4.8 p90 -128.94 171.08 12.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -139.33 164.89 28.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.6 p -124.16 156.4 36.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.39 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CD1' HD22 ' A' ' 11' ' ' LEU . 86.7 t80 -130.05 167.71 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 14.5 t0 -105.82 115.19 29.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.464 ' CD1' ' HE3' ' A' ' 22' ' ' LYS . 2.6 pt -91.36 -30.46 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -55.13 -64.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.16 55.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t0 173.95 49.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.73 -39.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -55.99 -50.34 71.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.473 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 54.7 t -67.71 -37.05 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -58.76 -52.39 65.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.467 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 8.3 pt20 -73.31 -36.11 66.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.8 -38.57 96.35 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 20' ' ' PHE . 7.5 mt -69.59 -66.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -42.45 -44.94 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.7 m -65.82 -40.8 92.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.572 ' CD2' HD22 ' A' ' 8' ' ' LEU . 2.9 t80 -45.77 -56.03 5.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.0 m -110.34 19.55 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.1 m120 40.58 43.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.5 ' C ' ' H ' ' A' ' 70' ' ' THR . 52.5 t-105 -127.05 73.64 76.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.001 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 29.68 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 68' ' ' TRP . 80.9 p -121.36 92.62 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.453 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 4.9 m-85 -82.67 163.3 52.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.95 -174.97 15.05 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.027 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -136.15 157.24 47.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.46 ' HB2' ' CG2' ' A' ' 87' ' ' VAL . 0.3 OUTLIER -128.25 136.1 50.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.511 ' CE1' HD13 ' A' ' 80' ' ' LEU . 63.3 m-85 -128.22 127.16 42.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.1 t -136.59 136.47 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 69.71 -65.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.34 -44.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.42 145.13 37.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.511 HD13 ' CE1' ' A' ' 75' ' ' TYR . 1.7 tp -61.06 143.97 54.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.57 -56.35 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.85 -169.92 30.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.55 -167.95 32.52 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 85' ' ' ASP . 3.1 tm? -45.84 -63.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -39.74 -37.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.06 -67.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 74' ' ' LEU . 75.6 t -40.04 -53.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -52.7 58.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -42.19 -50.47 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.56 -62.78 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.486 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -45.86 -61.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.75 -61.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -52.88 -30.15 32.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' LYS . . . 91.28 44.08 4.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -140.24 45.96 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 5.0 tp -123.88 -42.31 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.42 -46.03 98.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.01 -12.16 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.3 mm -87.19 -39.45 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.595 ' N ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -80.3 -52.78 7.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.47 ' HG2' ' CG1' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -53.2 -44.97 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -89.27 35.69 3.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.78 174.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.346 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.67 117.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.7 176.85 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 159.74 41.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.6 m -149.94 115.86 5.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 t 58.13 168.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.58 154.28 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.51 174.47 5.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.23 83.56 0.34 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t 51.62 64.86 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -174.4 149.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.493 ' CA ' ' CG1' ' A' ' 10' ' ' VAL . . . -90.77 80.35 1.36 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -85.64 -64.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.329 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.06 -40.6 45.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.493 ' CG1' ' CA ' ' A' ' 7' ' ' GLY . 2.6 p -65.11 -37.17 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 2.3 mt -59.26 -41.75 89.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.4 p -72.61 -41.65 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.524 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 12.4 p30 -93.5 21.96 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' VAL . 3.9 ttmt -69.03 -61.38 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.4 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -49.84 69.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.8 t -120.48 111.21 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -96.54 138.08 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' CD2' HD11 ' A' ' 40' ' ' LEU . 2.3 tm? -137.73 105.59 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 96.4 m-85 -98.46 113.52 25.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.451 ' CE ' ' O ' ' A' ' 22' ' ' LYS . 12.2 ptm -141.19 178.54 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' O ' ' CE ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -102.36 117.72 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.69 -23.47 11.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 60.38 -179.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 12.8 mtmt -58.84 -40.73 85.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' LYS . 81.8 mm-40 -38.64 -44.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.64 140.4 14.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.11 139.88 46.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -59.07 2.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.19 -74.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.248 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 32' ' ' PHE . . . -113.41 163.92 12.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER 74.16 -56.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 110.967 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.416 ' CB ' ' HE3' ' A' ' 21' ' ' MET . 0.5 OUTLIER -66.53 -71.5 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.976 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -48.13 -32.55 7.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . 45.3 mm-40 -53.39 -71.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' CD1' HD21 ' A' ' 19' ' ' LEU . 4.6 tt -38.95 -41.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 36' ' ' ILE . 9.3 mp -62.49 -56.68 15.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.91 -45.75 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.477 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 13.2 mt -71.92 -48.82 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.504 HD11 ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -54.51 -30.12 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -88.65 -26.77 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -60.94 -30.23 70.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.4 p -67.18 -29.47 69.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.8 17.23 73.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.461 ' CG1' ' HE3' ' A' ' 101' ' ' LYS . 18.8 m -97.66 174.98 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 18.0 mp0 -72.21 131.01 42.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 7.1 p90 -151.42 168.72 23.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.14 -177.3 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -148.64 142.0 25.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.373 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 74.2 t80 -123.84 167.24 14.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -105.99 112.77 25.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.74 -26.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -60.44 -71.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.74 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.16 89.96 1.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.17 -57.78 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 61' ' ' GLY . 4.5 mt-10 -39.07 -54.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 62' ' ' LEU . 69.6 t -54.84 -50.32 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -28.33 61.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -91.1 -17.8 25.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . -97.24 -16.28 35.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 58' ' ' VAL . 5.5 mt -83.92 -25.99 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -79.33 -36.42 39.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 m -79.68 -11.93 59.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.569 ' CD1' HD22 ' A' ' 8' ' ' LEU . 2.1 t80 -73.84 -44.92 54.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 26.0 m -122.33 15.56 10.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 48.26 34.53 4.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.458 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 5.1 t-105 -128.14 84.31 63.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.992 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -4.29 15.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.458 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 29.6 m -78.73 128.46 33.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.46 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.7 m-85 -122.09 163.55 31.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.463 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.93 172.95 60.34 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.042 -0.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.422 ' NE2' ' CD1' ' A' ' 68' ' ' TRP . 3.5 mt-30 -127.06 145.96 50.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' CD1' HG22 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -106.44 126.58 52.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -123.82 133.21 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.424 HG22 ' CD1' ' A' ' 74' ' ' LEU . 38.9 t -130.29 163.85 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.418 ' N ' HG12 ' A' ' 76' ' ' VAL . 4.4 tpt180 -71.23 62.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.0 -97.8 0.11 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -125.05 134.01 52.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 66' ' ' SER . 4.8 tp -45.52 115.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -59.43 -66.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.35 -173.8 30.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.446 1.091 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.29 -174.58 35.16 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.21 -48.13 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.79 -35.63 23.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.432 HG23 ' CD1' ' A' ' 90' ' ' LEU . 1.1 mp -77.56 -62.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.7 t -41.94 -54.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -49.5 -58.95 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.1 tp10 -44.89 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.432 ' CD1' HG23 ' A' ' 86' ' ' ILE . 1.2 mt -40.96 -54.66 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.76 -42.22 71.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' GLU . 16.0 t0 -60.22 -45.48 93.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.42 -35.31 73.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.04 24.21 7.75 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.23 53.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.803 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.3 tp -131.95 -45.4 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.29 -46.26 94.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -14.95 21.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.547 1.814 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.22 -40.57 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -72.13 -51.16 22.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HE3' ' CG1' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -40.8 -76.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -167.42 -83.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.46 157.41 16.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.0 m -81.75 130.18 34.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.63 157.13 18.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 72.8 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.3 t 60.14 167.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 t -112.6 116.99 31.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t -146.29 131.32 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.001 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.66 123.78 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.85 162.67 19.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 p -136.43 15.26 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.21 -47.47 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.978 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.81 111.57 0.07 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -92.12 -65.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 109.284 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -42.36 -44.41 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 13' ' ' ASN . 13.0 p -63.67 -49.91 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.508 ' CD1' ' CE1' ' A' ' 50' ' ' PHE . 1.2 mt -51.24 -68.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.2 p -43.47 -29.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.423 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' VAL . 48.3 m-20 -117.19 50.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -92.62 -58.51 2.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . . . -105.39 168.81 8.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -50.07 -48.06 53.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -125.02 117.5 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -99.21 135.59 40.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -135.52 115.25 12.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 91.8 m-85 -109.1 125.73 52.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 4.4 ptm -149.61 175.57 11.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 117.79 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 27' ' ' GLU . . . 111.82 -23.05 17.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.425 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.7 OUTLIER 63.16 173.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' ASN . 3.8 mtmt -40.64 -29.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' N ' ' C ' ' A' ' 24' ' ' ASN . 23.0 mt-30 -60.32 -75.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HB2' ' CA ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -72.72 147.0 46.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.85 105.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' CYS . 2.4 mmpt? -92.63 33.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' LYS . 1.5 m 40.85 84.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 108.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.526 ' C ' ' CG ' ' A' ' 32' ' ' PHE . . . 172.85 92.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CG ' ' C ' ' A' ' 31' ' ' GLY . 3.5 m-85 74.19 -55.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.475 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 0.3 OUTLIER -58.84 -69.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -62.71 -47.41 83.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' GLU . 2.7 mm-40 -42.46 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.5 tt -41.11 -40.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.484 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 1.5 mt -61.34 -49.54 76.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' GLN . 2.2 mt-10 -59.79 -39.81 86.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.474 HG23 ' CE ' ' A' ' 91' ' ' LYS . 21.8 mt -70.31 -49.2 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -52.8 -21.98 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -89.42 -44.98 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -42.87 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -44.69 -40.03 5.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.48 -3.64 63.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.432 HG12 ' CE ' ' A' ' 101' ' ' LYS . 19.1 m -83.92 -172.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.83 131.04 56.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.484 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 6.7 p90 -138.85 168.11 20.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . 6.3 mm-40 -136.01 159.52 41.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 p -119.91 166.59 13.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.539 ' HB3' ' CD1' ' A' ' 20' ' ' PHE . 84.1 t80 -144.63 167.47 22.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 1.4 p-10 -100.88 117.63 35.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.57 HD12 ' CE2' ' A' ' 71' ' ' TYR . 1.2 pt -94.7 -31.8 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.425 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -57.52 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.76 -66.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.16 73.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.41 -48.61 80.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -44.94 -42.16 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.468 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 67.2 t -66.77 -47.78 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -69.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 61' ' ' GLY . 1.2 pp0? -52.36 -50.66 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' OE1' ' A' ' 60' ' ' GLN . . . -59.5 -14.67 28.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' PHE . 5.1 mt -92.02 -67.79 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' O ' ' CA ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -44.14 -38.46 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -74.19 -37.07 64.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' LEU . 15.7 t80 -43.1 -45.57 5.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.3 m -122.36 7.24 9.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' CA ' ' O ' ' A' ' 63' ' ' LYS . 6.5 t30 54.42 37.34 27.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.5 ' C ' ' H ' ' A' ' 70' ' ' THR . 29.3 t-105 -126.63 79.56 71.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.043 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 30.41 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 68' ' ' TRP . 1.8 m -114.05 93.65 4.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.57 ' CE2' HD12 ' A' ' 52' ' ' ILE . 14.8 m-85 -81.32 162.24 59.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.96 -175.28 15.68 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.998 -0.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -136.88 126.92 26.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -110.01 130.02 55.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 49.1 m-85 -128.57 132.37 48.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' ARG . 9.5 p -136.93 175.67 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 76' ' ' VAL . 4.4 tmt_? -37.69 -46.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.5 -131.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' VAL . 3.8 p-10 -116.74 177.31 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp -48.23 94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 79' ' ' ASP . 41.2 t -41.16 -73.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.69 178.68 25.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.5 -164.37 1.21 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.11 -57.31 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.94 -41.34 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.429 HG22 ' CD1' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -68.0 -68.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.9 t -44.31 -53.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -52.78 -56.94 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ASP . 18.2 tt0 -45.18 -68.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.429 ' CD1' HG22 ' A' ' 86' ' ' ILE . 1.4 mt -44.67 -53.35 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.474 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -53.72 -35.89 61.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 89' ' ' GLU . 17.6 t70 -67.46 -52.82 34.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -61.46 -43.28 99.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.85 29.86 3.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.13 52.83 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 7.0 tp -131.81 -48.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.0 tm? -53.42 -46.04 98.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.97 -13.36 21.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.9 mm -89.02 -43.86 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.523 ' N ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -69.8 -49.23 54.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.432 ' CE ' HG12 ' A' ' 45' ' ' VAL . 1.8 mmpt? -44.31 -27.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 100' ' ' LEU . . . -90.15 36.23 3.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -61.44 158.05 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 110.313 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.401 ' N ' ' HB2' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -46.04 150.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.63 68.63 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.83 36.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.773 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.81 73.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.39 -58.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.95 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -60.72 143.04 55.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -106.25 -55.06 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.009 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.5 99.36 2.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -84.67 118.96 24.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.99 175.08 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.962 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.53 172.6 14.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.7 tp -75.36 -61.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -47.33 10.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 33.0 t -60.98 -37.53 77.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -61.93 -53.91 49.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.9 p -68.65 -11.57 60.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -117.57 17.28 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' VAL . 2.4 ttmt -73.02 -61.36 1.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.38 148.06 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.77 -48.92 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.962 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 t -113.62 107.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.44 124.74 39.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.8 tm? -118.27 106.01 12.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 42.1 m-85 -101.07 108.04 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.54 ' CE ' ' CB ' ' A' ' 28' ' ' ALA . 3.1 ptt? -136.4 178.68 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -104.75 107.81 18.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.78 -29.83 2.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.25 156.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -40.1 -37.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -39.94 -41.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 169.49 165.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.54 ' CB ' ' CE ' ' A' ' 21' ' ' MET . . . -149.75 -74.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 40.33 74.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.49 -46.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.28 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 143.05 152.5 5.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' GLN . 15.4 m-85 58.88 -76.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' GLY . 5.5 m -36.16 -50.3 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -48.26 71.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' PHE . 18.2 mm-40 -46.55 -65.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.451 ' CD1' HD22 ' A' ' 19' ' ' LEU . 1.3 tt -41.96 -44.11 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' N ' HG21 ' A' ' 36' ' ' ILE . 1.5 mt -65.27 -48.45 73.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.98 -34.48 63.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.472 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 44.1 mt -80.47 -50.26 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 HD12 ' CD2' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -50.05 -23.49 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -28.29 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -74.01 -3.04 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.957 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.439 ' C ' ' H ' ' A' ' 45' ' ' VAL . 39.4 p -134.4 84.52 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 45' ' ' VAL . . . -73.14 10.35 5.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.439 ' H ' ' C ' ' A' ' 43' ' ' THR . 2.3 m -55.71 -165.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.86 109.97 13.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -151.03 178.44 9.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -162.05 175.84 11.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 p -136.72 138.87 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CD1' HD11 ' A' ' 11' ' ' LEU . 83.6 t80 -121.11 165.58 15.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -109.94 115.44 29.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -87.95 -15.73 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -74.22 -65.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -45.77 -70.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -78.3 87.29 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.26 -35.72 81.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.55 -55.25 36.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' A' ' 50' ' ' PHE . 78.9 t -54.12 -46.01 66.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -53.95 -70.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -54.32 -35.52 62.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.413 ' O ' ' CD2' ' A' ' 8' ' ' LEU . . . -73.8 -12.7 80.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' PHE . 5.0 mt -92.55 -62.52 1.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -44.81 -36.4 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.8 m -75.6 -37.35 59.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -53.99 -37.29 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' ASN . 3.5 m -122.39 13.68 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.039 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' LYS . 44.0 t30 39.9 39.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 70' ' ' THR . 24.0 t-105 -130.71 77.64 75.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.55 7.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.804 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.448 ' O ' ' NE1' ' A' ' 68' ' ' TRP . 23.4 m -76.35 89.23 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.489 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 26.1 m-85 -86.99 157.17 54.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.07 167.23 81.07 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.982 0.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.463 ' HG3' ' CD1' ' A' ' 80' ' ' LEU . 29.1 tt0 -133.56 116.95 16.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.403 HD11 ' N ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -94.13 149.81 20.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.403 ' N ' HD11 ' A' ' 74' ' ' LEU . 9.5 m-85 -132.85 126.8 33.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' GLY . 26.5 t -137.43 144.88 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 64.43 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -169.28 -41.63 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -77.95 161.33 27.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD1' ' HG3' ' A' ' 73' ' ' GLN . 0.4 OUTLIER -80.67 124.47 29.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.0 t -72.8 -63.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.406 ' N ' HD13 ' A' ' 80' ' ' LEU . . . 157.55 -169.27 34.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.52 -162.45 32.69 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD2' HD11 ' A' ' 39' ' ' ILE . 1.7 tm? -56.65 -56.03 26.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -36.46 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -70.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.3 t -40.31 -58.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -53.17 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -48.33 -69.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -42.17 -57.03 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -50.11 -45.89 53.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -65.09 -64.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -44.05 -43.56 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.95 40.73 1.94 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -141.82 50.4 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.784 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 7.5 tp -117.51 -43.15 2.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.48 -45.61 98.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.06 -36.55 2.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.37 -37.37 79.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.506 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -76.84 -60.94 2.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -38.38 -64.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . 86.09 86.77 1.02 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' GLY . 3.2 tt0 37.39 79.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 m -154.98 150.06 26.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.61 98.97 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.89 3.87 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 t 56.58 85.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 44.89 82.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.783 HD21 HG13 ' A' ' 58' ' ' VAL . 10.7 mt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.63 -48.99 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 11' ' ' LEU . 8.4 p -53.21 -48.48 54.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.975 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 1.6 mt -54.2 -55.43 28.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.8 p -63.95 -16.79 62.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -115.18 25.93 10.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 10' ' ' VAL . 13.1 ttpt -78.69 -57.2 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.59 152.81 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 m -40.64 -52.91 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 91.4 t -118.32 112.87 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -99.02 141.03 32.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 36' ' ' ILE . 1.5 tm? -139.81 104.96 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.603 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 44.6 m-85 -95.26 127.2 41.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.9 ptm -161.54 169.63 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.925 ' HB2' HD11 ' A' ' 53' ' ' LEU . 1.5 ptmm? -86.55 113.44 22.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.84 -31.88 6.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.498 HD21 ' N ' ' A' ' 51' ' ' ASP . 1.5 m-20 56.0 171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG2' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -38.99 -30.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 24' ' ' ASN . 46.4 mm-40 -55.33 -63.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -114.19 145.54 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.658 ' O ' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.628 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 25.9 tttt -69.7 -32.83 71.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.2 mm100 -48.18 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.003 HD13 HD21 ' A' ' 19' ' ' LEU . 10.1 tt -39.36 -49.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.658 HD13 ' O ' ' A' ' 33' ' ' SER . 6.7 mp -51.67 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -38.69 -38.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.926 HG23 ' HE3' ' A' ' 91' ' ' LYS . 28.6 mt -73.47 -50.55 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 19' ' ' LEU . 1.1 mt -55.93 -24.59 38.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -93.1 -50.45 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.5 m -44.04 -32.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 39' ' ' ILE . 2.6 p -55.88 -47.14 77.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.11 -8.55 42.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.622 HG12 ' HE3' ' A' ' 101' ' ' LYS . 16.7 m -75.6 -171.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -107.31 134.52 50.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.467 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 15.3 p90 -150.95 174.68 12.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -147.91 173.08 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.2 p -127.37 164.52 21.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.975 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 74.8 t80 -146.27 162.73 37.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.498 ' N ' HD21 ' A' ' 24' ' ' ASN . 1.3 p30 -96.33 129.19 43.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.41 -18.83 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.925 HD11 ' HB2' ' A' ' 22' ' ' LYS . 4.5 mt -82.52 -63.73 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.36 -44.79 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.09 80.12 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.1 -52.86 57.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -40.74 -47.53 2.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.783 HG13 HD21 ' A' ' 8' ' ' LEU . 87.5 t -63.99 -45.44 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -40.21 -66.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -74.12 -30.97 62.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.509 ' C ' HD11 ' A' ' 8' ' ' LEU . . . -60.33 -28.63 67.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.604 ' HG ' HD22 ' A' ' 8' ' ' LEU . 6.8 mt -86.03 -59.0 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.93 -39.09 39.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 m -71.03 -23.62 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.1 t80 -88.94 -50.12 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.623 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -77.55 -30.21 52.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER 74.22 33.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.439 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 18.2 t-105 -147.64 83.36 7.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 107.997 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.43 8.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 70' ' ' THR . 3.1 m -84.45 62.6 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.386 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.486 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.7 m-85 -52.45 165.04 0.56 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.02 -174.64 14.5 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.957 0.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 18.6 mt-30 -141.51 137.66 32.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.823 HD23 HG22 ' A' ' 87' ' ' VAL . 3.3 tp -114.16 133.53 55.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.644 ' N ' HD12 ' A' ' 74' ' ' LEU . 72.4 m-85 -118.88 127.45 53.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.446 HG11 ' O ' ' A' ' 99' ' ' ILE . 94.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.623 HD22 ' OG ' ' A' ' 66' ' ' SER . 5.5 tp . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG21 ' CG2' ' A' ' 76' ' ' VAL . 71.2 t -79.05 -61.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.643 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.19 -166.01 33.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 86' ' ' ILE . . . -101.73 -179.09 28.13 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 84' ' ' LEU . 3.0 tm? -41.78 -59.83 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -43.1 -42.5 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.643 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -73.44 -63.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.823 HG22 HD23 ' A' ' 74' ' ' LEU . 89.8 t -41.93 -62.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.61 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -46.01 -45.46 15.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -46.48 -61.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.5 HD22 ' H ' ' A' ' 90' ' ' LEU . 3.3 mm? -52.12 -62.44 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.926 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -43.2 -58.92 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.85 -56.35 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -54.55 -41.57 69.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.82 39.69 2.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -141.3 49.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.478 ' CD2' HD21 ' A' ' 100' ' ' LEU . 6.0 tp -119.71 -40.21 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.627 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tm? -53.76 -45.31 98.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.98 -16.47 20.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.446 ' O ' HG11 ' A' ' 76' ' ' VAL . 17.3 mm -87.38 -35.25 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.478 HD21 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -76.18 -54.87 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.622 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.6 mmpt? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -47.64 -36.2 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.445 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 2.7 p -69.91 -37.53 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.974 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.4 mt -61.77 -40.1 93.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 9' ' ' LYS . 78.9 p -71.18 -32.97 69.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.544 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 24.5 p30 -101.46 19.71 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -64.32 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.62 164.6 13.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -63.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.461 ' CG1' HD13 ' A' ' 40' ' ' LEU . 56.8 t -108.96 111.29 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.523 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.82 138.15 32.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.945 HD21 HD13 ' A' ' 36' ' ' ILE . 1.9 tm? -139.16 104.66 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 62' ' ' LEU . 84.5 m-85 -94.21 124.93 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 3.9 ptm -159.86 173.44 15.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.961 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -91.48 116.51 28.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.59 -28.02 7.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.44 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 56.68 164.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.24 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -40.61 -29.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.44 ' N ' ' C ' ' A' ' 24' ' ' ASN . 73.4 mm-40 -55.29 -63.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.03 140.3 49.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.708 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.471 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 14.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.708 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 8.2 tttp -84.0 -41.08 17.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -71.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.945 HD13 HD21 ' A' ' 19' ' ' LEU . 7.7 tt -42.09 -44.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD21 ' CG2' ' A' ' 49' ' ' THR . 6.1 mt -59.93 -57.72 11.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.5 -37.38 17.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.713 HG23 ' CE ' ' A' ' 91' ' ' LYS . 10.2 mt -75.73 -48.73 28.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.648 HD11 HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -54.12 -25.1 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.53 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 3.3 m-20 -86.82 -35.78 18.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.7 -44.71 58.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.632 HG21 HD23 ' A' ' 100' ' ' LEU . 9.2 p -50.43 -30.8 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.1 -2.99 67.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.757 HG12 ' HE3' ' A' ' 101' ' ' LYS . 22.4 m -75.27 -172.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.9 126.65 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.543 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 25.2 p90 -143.6 177.44 8.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -158.61 -178.25 7.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.475 ' CG2' HD21 ' A' ' 37' ' ' LEU . 34.2 p -137.28 166.13 24.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.974 ' CE1' HD11 ' A' ' 11' ' ' LEU . 82.4 t80 -148.08 163.52 36.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.524 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -94.87 124.48 38.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.805 HD13 ' CE2' ' A' ' 71' ' ' TYR . 1.1 pp -101.01 -10.79 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' A' ' 22' ' ' LYS . 5.1 mt -90.26 -68.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -38.69 -40.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 95.89 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.37 -49.7 46.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -43.54 -54.45 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 78.9 t -56.0 -42.87 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.4 ttt-85 -59.25 -56.34 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -67.02 -12.12 58.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.31 -45.22 4.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 20' ' ' PHE . 17.3 mt -67.04 -56.08 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.97 -36.73 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.3 m -77.43 -56.86 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -37.61 -47.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.773 ' OG ' HD22 ' A' ' 80' ' ' LEU . 1.3 t -95.7 -29.34 14.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 66' ' ' SER . 49.1 t30 79.48 36.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.357 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.464 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 1.8 t-105 -147.34 92.33 4.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.61 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.464 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 3.0 m -40.77 98.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.805 ' CE2' HD13 ' A' ' 52' ' ' ILE . 13.6 m-85 -85.84 162.87 45.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -75.0 -173.35 12.17 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.06 -2.475 . . . . 0.0 111.02 0.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 0.5 OUTLIER -145.06 126.31 14.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.675 HD23 HG22 ' A' ' 87' ' ' VAL . 1.6 tp -103.43 138.08 40.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.594 ' N ' HD12 ' A' ' 74' ' ' LEU . 42.4 m-85 -128.22 132.1 48.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.513 HG21 ' HA ' ' A' ' 100' ' ' LEU . 2.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.773 HD22 ' OG ' ' A' ' 66' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.01 -63.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.547 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 153.07 -163.4 30.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.71 172.06 43.94 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.567 HD23 ' CB ' ' A' ' 36' ' ' ILE . 1.4 tm? -44.49 -53.08 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -48.62 -47.66 39.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.547 HG21 ' HA3' ' A' ' 82' ' ' GLY . 6.1 mt -65.76 -58.64 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.675 HG22 HD23 ' A' ' 74' ' ' LEU . 83.0 t -45.3 -60.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.33 -45.89 46.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -46.76 -64.37 0.79 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.9 mm? -51.16 -63.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.713 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -42.75 -47.86 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -54.87 -54.98 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.81 -35.64 77.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.63 43.02 2.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -142.95 52.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.493 ' CD2' HD21 ' A' ' 100' ' ' LEU . 5.8 tp -124.39 -42.67 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tm? -54.39 -45.16 99.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.06 -17.53 19.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.6 mm -87.7 -32.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.632 HD23 HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -77.46 -55.09 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.757 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.79 HD23 ' HD2' ' A' ' 65' ' ' PHE . 1.6 tp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -32.74 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 p -74.94 -38.62 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.081 HD11 ' CE1' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -60.59 -39.42 88.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -76.88 0.39 21.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -138.5 25.23 2.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -61.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.68 169.75 8.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.45 -49.03 71.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 66.5 t -122.79 113.09 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.524 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -93.34 142.13 27.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 36' ' ' ILE . 1.7 tm? -143.39 106.16 4.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 80.7 m-85 -97.98 118.09 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -145.32 178.73 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.66 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -114.99 116.27 28.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.25 -13.46 4.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.18 160.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.804 ' HG3' HG21 ' A' ' 49' ' ' THR . 0.6 OUTLIER -60.81 -33.96 73.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -41.02 -47.39 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -163.48 114.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.9 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -79.78 -55.45 4.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -44.64 -69.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.007 HD13 HD21 ' A' ' 19' ' ' LEU . 4.6 tt -41.36 -42.89 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.19 -50.33 70.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -39.24 62.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.537 HG23 ' HD3' ' A' ' 91' ' ' LYS . 30.1 mt -77.93 -48.57 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -50.23 -27.5 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.423 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 9.4 m-20 -85.56 -48.04 9.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.38 -51.59 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.707 HG21 ' CD2' ' A' ' 100' ' ' LEU . 15.5 p -39.58 -39.26 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.77 -13.9 61.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.783 HG12 ' HE3' ' A' ' 101' ' ' LYS . 17.4 m -66.28 -171.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.07 131.36 51.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.437 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 16.6 p90 -145.0 177.22 8.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -147.02 179.77 7.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.804 HG21 ' HG3' ' A' ' 25' ' ' LYS . 1.9 p -140.83 142.22 34.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.445 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 1.081 ' CE1' HD11 ' A' ' 11' ' ' LEU . 58.7 t80 -130.0 130.29 44.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -70.97 131.91 44.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.67 -8.96 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.66 HD11 ' HB2' ' A' ' 22' ' ' LYS . 14.1 mt -82.69 -67.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.5 -55.33 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.11 113.96 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -88.09 -46.19 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -47.08 -43.2 19.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.666 HG11 ' CE2' ' A' ' 50' ' ' PHE . 85.4 t -71.93 -32.69 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -61.14 -70.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 17.5 pt20 -57.75 -48.39 79.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' A' ' 60' ' ' GLN . . . -52.4 -24.9 18.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.593 ' HA ' HD21 ' A' ' 8' ' ' LEU . 6.4 mt -79.96 -69.53 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -33.48 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -74.24 -29.21 61.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.79 ' HD2' HD23 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -89.32 -61.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.608 ' OG ' HD12 ' A' ' 80' ' ' LEU . 2.3 t -62.06 -29.57 70.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 73.51 33.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.548 ' CG ' ' OE1' ' A' ' 73' ' ' GLN . 6.9 t-105 -147.96 89.92 5.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 p -49.37 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.487 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.6 m-85 -95.76 165.34 16.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.5 Cg_endo -74.98 -173.97 13.27 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.005 -0.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.868 ' OE1' HD11 ' A' ' 80' ' ' LEU . 3.5 mt-30 -138.37 137.98 37.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.766 HD13 ' N ' ' A' ' 75' ' ' TYR . 1.5 tm? -101.31 131.98 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.766 ' N ' HD13 ' A' ' 74' ' ' LEU . 28.9 m-85 -127.33 132.26 50.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.414 HG12 HG23 ' A' ' 81' ' ' VAL . 8.4 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.868 HD11 ' OE1' ' A' ' 73' ' ' GLN . 4.9 tt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.576 ' CG2' HD12 ' A' ' 74' ' ' LEU . 57.5 t -53.87 -57.9 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.466 ' N ' HD23 ' A' ' 80' ' ' LEU . . . 147.37 -177.49 25.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.79 -157.16 4.6 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.691 ' C ' HD13 ' A' ' 84' ' ' LEU . 1.2 tm? -69.9 -50.37 42.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.418 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -46.7 -35.24 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.548 HG23 HD11 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -77.56 -63.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' A' ' 90' ' ' LEU . 40.1 t -44.28 -59.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.69 -57.43 3.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -46.45 -66.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.56 ' HB2' HD13 ' A' ' 96' ' ' LEU . 1.4 mt -42.04 -55.7 3.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.537 ' HD3' HG23 ' A' ' 39' ' ' ILE . 39.5 tptt -51.21 -50.02 59.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -49.69 46.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.34 -47.73 82.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.06 33.17 2.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -135.11 58.17 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 90' ' ' LEU . 6.2 tp -120.67 -42.96 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tm? -53.92 -45.8 98.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.98 -17.18 19.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.424 ' HA ' HD13 ' A' ' 99' ' ' ILE . 34.5 mm -86.71 -36.65 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.707 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -74.41 -54.3 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.783 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.942 HD11 HG13 ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.61 -48.94 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' LYS . 71.0 t -62.06 -38.5 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.916 HD11 ' CE1' ' A' ' 50' ' ' PHE . 5.5 mt -63.49 -58.17 7.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.0 p -61.75 -19.24 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -117.72 27.77 8.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.99 -62.75 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.62 153.63 24.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -43.89 -42.18 5.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -121.97 112.3 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.534 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -100.72 134.68 43.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.867 HD21 HD13 ' A' ' 36' ' ' ILE . 1.7 tm? -133.23 104.49 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 62' ' ' LEU . 89.8 m-85 -94.45 107.29 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.575 ' HE1' ' HA ' ' A' ' 28' ' ' ALA . 9.8 ptm -129.55 170.61 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.693 ' HB2' HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -96.07 116.52 29.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.27 48.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m120 61.57 -175.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.594 ' CD ' HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -50.18 -43.93 52.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -46.26 -26.89 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -121.29 -165.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.644 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 11.3 tptt -81.86 -50.35 9.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -49.84 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.867 HD13 HD21 ' A' ' 19' ' ' LEU . 3.9 tt -41.12 -43.06 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD11 ' HG3' ' A' ' 25' ' ' LYS . 1.4 mt -63.32 -55.78 21.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' SER . 3.8 mm-40 -44.1 -46.9 8.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.749 HG23 ' HE3' ' A' ' 91' ' ' LYS . 6.5 mt -70.47 -49.07 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.624 HD11 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.28 -27.46 35.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 t30 -93.69 -34.47 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.436 ' HB3' ' CE ' ' A' ' 91' ' ' LYS . 9.9 t -56.77 -26.4 57.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 p -63.19 -45.0 93.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.58 -1.31 63.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.86 HG12 ' HE3' ' A' ' 101' ' ' LYS . 11.1 m -81.78 -168.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.85 132.22 51.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -149.93 167.8 25.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -141.7 175.12 9.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.594 HG21 ' CD ' ' A' ' 25' ' ' LYS . 73.2 p -135.04 162.07 33.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.916 ' CE1' HD11 ' A' ' 11' ' ' LEU . 73.7 t80 -136.4 167.47 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -97.32 117.07 30.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -99.39 -10.33 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 22' ' ' LYS . 28.0 mt -89.3 -68.86 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.13 -62.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.36 107.47 15.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.01 -50.92 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -43.83 -43.3 6.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.942 HG13 HD11 ' A' ' 8' ' ' LEU . 58.2 t -75.95 -46.35 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' VAL . 44.5 ttp180 -38.35 -69.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' LYS . 3.0 pt20 -70.36 -36.04 73.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.32 -11.29 32.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HA ' HD21 ' A' ' 8' ' ' LEU . 2.4 mt -90.44 -41.6 11.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 1.6 ptpt -57.82 -31.06 66.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 18.3 m -82.14 -11.52 58.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.621 ' CD2' HD23 ' A' ' 8' ' ' LEU . 28.9 t80 -63.73 -59.24 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 m -122.44 20.6 10.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 17.5 t-20 55.96 42.86 28.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.514 ' CD1' ' O ' ' A' ' 70' ' ' THR . 69.8 t-105 -127.15 82.48 68.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.457 ' HA ' ' CB ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -74.91 0.83 8.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 21.7 m -89.57 143.73 26.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 23.9 m-85 -144.85 152.6 52.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.99 168.34 77.74 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.006 -0.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' CB ' ' CD1' ' A' ' 68' ' ' TRP . 1.3 pt20 -125.39 -179.11 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.686 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -135.14 134.13 39.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.686 ' N ' HD13 ' A' ' 74' ' ' LEU . 14.1 m-85 -123.61 128.32 49.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.564 HG23 HD12 ' A' ' 74' ' ' LEU . 74.4 t . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 76' ' ' VAL . 30.0 t -96.62 -55.96 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.533 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 159.72 -160.38 31.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.49 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -102.92 -156.65 25.24 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.76 -61.08 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -42.24 -40.79 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.533 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -73.32 -67.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.593 HG11 HD21 ' A' ' 40' ' ' LEU . 79.0 t -41.19 -55.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -45.77 62.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -49.95 -69.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.628 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.0 mm? -42.86 -54.83 3.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.749 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -53.71 -45.35 70.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.42 -61.13 2.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -49.9 -39.83 41.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.21 45.0 1.78 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -145.76 49.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.628 HD13 ' HB2' ' A' ' 90' ' ' LEU . 4.2 tp -120.16 -41.93 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.624 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tm? -55.86 -45.64 99.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -75.01 -29.71 7.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 99' ' ' ILE . 13.0 mm -74.78 -33.47 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.499 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -76.23 -61.02 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.86 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.7 mmpt? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.775 HD21 ' HA ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -49.14 -46.94 45.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.3 p -57.29 -45.24 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.713 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 2.4 mt -50.8 -58.28 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.0 p -58.55 -16.07 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -116.63 21.13 13.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -72.49 -58.46 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.42 161.98 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -50.08 -48.13 53.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.2 t -121.51 109.11 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.569 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.08 132.82 39.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.931 HD23 HD11 ' A' ' 40' ' ' LEU . 1.2 tm? -131.98 104.75 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 96.4 m-85 -92.82 118.9 31.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.756 ' SD ' HD11 ' A' ' 37' ' ' LEU . 28.2 ptm -145.29 178.41 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.517 ' HA ' HD21 ' A' ' 53' ' ' LEU . 8.0 tmtt? -98.44 111.24 23.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.79 -18.35 26.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.3 m120 61.41 170.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -39.78 -30.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASN . 44.3 mm-40 -51.19 -50.1 59.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.73 147.96 31.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HA ' ' HE1' ' A' ' 21' ' ' MET . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.678 ' O ' HD13 ' A' ' 37' ' ' LEU . 1.4 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -79.98 -39.73 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -46.55 -63.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.851 HD13 HD21 ' A' ' 19' ' ' LEU . 6.9 tt -42.64 -52.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.756 HD11 ' SD ' ' A' ' 21' ' ' MET . 7.1 mp -49.56 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.26 -37.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.457 HD12 ' CD2' ' A' ' 84' ' ' LEU . 37.8 mt -76.62 -54.71 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.931 HD11 HD23 ' A' ' 19' ' ' LEU . 1.1 mt -54.41 -28.57 44.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.167 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -81.26 -37.82 27.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -44.89 39.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.732 HG21 HD23 ' A' ' 100' ' ' LEU . 31.8 p -56.24 -23.24 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.06 19.82 32.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.647 HG12 ' HE3' ' A' ' 101' ' ' LYS . 21.0 m -94.28 175.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -66.66 126.79 30.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.558 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 10.8 p90 -151.1 -179.78 7.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.88 177.02 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.536 HG21 ' HG3' ' A' ' 25' ' ' LYS . 2.5 p -134.09 153.4 51.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.713 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 59.6 t80 -133.91 162.43 32.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' N ' HD21 ' A' ' 24' ' ' ASN . 2.6 p30 -102.13 126.39 49.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -99.14 -12.12 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.608 HD22 ' H ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -77.24 -70.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -41.05 -90.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.91 94.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.0 -52.32 20.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -44.33 -52.21 7.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.502 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 92.7 t -58.01 -38.23 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -59.8 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -68.95 -28.42 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.445 ' N ' ' HG3' ' A' ' 60' ' ' GLN . . . -72.15 -33.92 61.77 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.775 ' HA ' HD21 ' A' ' 8' ' ' LEU . 6.3 mt -73.38 -62.82 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.69 -44.08 13.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -67.25 -38.43 85.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 5.5 t80 -43.07 -55.03 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.0 m -118.5 23.5 11.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LYS . 14.3 t-20 40.42 35.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.442 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 2.3 t-105 -128.12 88.08 53.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.79 2.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.442 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 8.2 m -38.63 118.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.492 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.6 m-85 -117.56 162.5 28.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -74.98 -176.04 17.26 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.019 -0.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.409 ' OE1' ' CD1' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -143.7 133.48 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.795 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.3 tp -98.18 127.08 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.795 ' N ' HD12 ' A' ' 74' ' ' LEU . 38.5 m-85 -120.7 129.01 53.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.0 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.74 -66.69 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.554 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 153.98 -156.68 26.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.87 -175.36 44.13 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.573 ' C ' HD13 ' A' ' 84' ' ' LEU . 1.8 tm? -50.94 -54.93 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -47.4 -45.48 25.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.554 HG21 ' HA3' ' A' ' 82' ' ' GLY . 0.8 OUTLIER -66.17 -63.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.619 HG22 HD23 ' A' ' 74' ' ' LEU . 75.7 t -40.47 -57.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -51.78 53.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -42.75 -47.85 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.599 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.7 mm? -66.67 -46.61 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HB2' HD22 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -55.79 -57.41 12.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -48.67 -53.09 20.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -58.67 -52.93 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.52 35.2 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.5 51.69 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.599 HD13 ' HB2' ' A' ' 90' ' ' LEU . 6.0 tp -124.95 -49.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.9 -46.35 97.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.04 -13.73 21.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.4 mm -89.76 -43.23 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -69.99 -48.67 57.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.647 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.899 ' CD2' HG13 ' A' ' 58' ' ' VAL . 16.0 mt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.3 ptpt -45.22 -50.96 11.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.6 p -52.18 -46.61 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.945 HD11 ' CE1' ' A' ' 50' ' ' PHE . 2.4 mt -58.69 -57.85 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -61.66 -19.54 62.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LYS . 33.7 m120 -117.01 30.43 7.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -78.42 -63.55 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.31 157.09 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -40.25 -53.96 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.516 HG13 HD13 ' A' ' 74' ' ' LEU . 90.6 t -119.72 113.58 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.553 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -97.28 140.12 32.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.987 HD21 HD13 ' A' ' 36' ' ' ILE . 1.6 tm? -136.46 105.76 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 26.7 m-85 -98.39 106.46 18.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -134.41 178.5 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.698 ' HA ' HD21 ' A' ' 53' ' ' LEU . 24.4 tttt -99.6 109.97 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.08 -21.05 7.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 59.73 168.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 0.746 . . . . 0.0 109.302 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HE2' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -51.91 -25.41 8.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -47.06 -54.02 11.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -156.26 144.8 20.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.499 ' HB1' ' OG ' ' A' ' 33' ' ' SER . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.499 ' OG ' ' HB1' ' A' ' 28' ' ' ALA . 16.4 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 28' ' ' ALA . 3.1 tttp -87.58 -40.96 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' GLU . 12.9 mm-40 -53.13 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.987 HD13 HD21 ' A' ' 19' ' ' LEU . 5.4 tt -37.94 -39.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 33' ' ' SER . 5.6 mt -63.51 -54.69 32.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' GLN . 2.7 pt-20 -57.58 -25.28 59.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.6 mt -84.86 -43.73 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.658 HD11 HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -62.68 -25.93 68.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -92.07 -44.17 8.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -47.31 -27.51 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.769 HG21 ' CD2' ' A' ' 100' ' ' LEU . 2.1 p -67.08 -43.71 81.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.12 -23.26 29.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.847 HG12 ' HE2' ' A' ' 101' ' ' LYS . 31.0 m -56.8 -171.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 0.746 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -115.11 122.88 47.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.506 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 6.6 p90 -136.66 171.42 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -139.9 176.06 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.1 p -131.41 159.4 38.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.945 ' CE1' HD11 ' A' ' 11' ' ' LEU . 82.1 t80 -132.93 165.46 24.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -104.2 99.59 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.91 -20.39 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -72.55 -65.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -41.69 -66.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.52 87.36 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.91 -54.66 27.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -41.43 -51.84 3.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.899 HG13 ' CD2' ' A' ' 8' ' ' LEU . 94.5 t -57.27 -53.99 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' VAL . 43.5 ttt180 -38.91 -36.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -90.55 -42.81 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -62.2 -19.08 59.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.763 HD12 HG12 ' A' ' 58' ' ' VAL . 3.0 mt -83.4 -68.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -31.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.4 m -78.06 -48.8 15.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -67.76 -54.8 16.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.58 -29.31 67.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.8 t30 70.99 33.6 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.445 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 3.9 t-105 -153.63 95.8 2.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.445 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 9.7 m -40.59 105.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.486 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.5 m-85 -113.82 164.85 14.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.5 Cg_endo -74.97 -178.01 22.19 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.055 -0.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.685 ' O ' HD22 ' A' ' 19' ' ' LEU . 21.7 mm100 -137.55 179.8 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 75' ' ' TYR . 5.7 tp -140.71 142.84 34.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.664 ' N ' HD12 ' A' ' 74' ' ' LEU . 66.8 m-85 -134.0 127.04 31.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.543 HG23 HD11 ' A' ' 74' ' ' LEU . 6.3 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.644 HD23 ' N ' ' A' ' 81' ' ' VAL . 4.1 tt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.644 ' N ' HD23 ' A' ' 80' ' ' LEU . 91.4 t -88.05 -51.25 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.635 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 148.48 -176.9 27.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.496 ' CA ' ' OE1' ' A' ' 73' ' ' GLN . . . -91.07 179.62 42.57 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.529 ' C ' HD13 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -42.37 -53.86 4.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 0.762 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.499 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -45.34 -48.59 13.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.705 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.2 mt -68.58 -61.07 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.607 HG22 HD23 ' A' ' 74' ' ' LEU . 72.8 t -41.33 -49.93 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -50.62 72.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -41.25 -43.65 2.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.705 HD22 ' O ' ' A' ' 86' ' ' ILE . 1.1 mm? -67.87 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 92' ' ' ASP . 0.4 OUTLIER -43.84 -43.47 6.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' LYS . 42.2 t0 -40.08 -65.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 95' ' ' GLU . 6.0 p30 -71.27 -43.09 67.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 93' ' ' ASN . . . 118.36 35.41 1.01 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 2.7 mm-40 -115.48 39.71 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.479 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 4.8 tp -120.27 -41.13 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.625 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -54.24 -45.57 99.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -75.04 -19.85 17.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 43.2 mm -81.62 -45.81 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.769 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -67.37 -52.71 36.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.847 ' HE2' HG12 ' A' ' 45' ' ' VAL . 1.5 mmpt? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.849 ' CD2' HG13 ' A' ' 58' ' ' VAL . 11.1 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.04 -50.5 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 11' ' ' LEU . 13.7 p -54.26 -50.98 52.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.784 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 3.0 mt -53.03 -60.8 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.468 ' CG2' HD21 ' A' ' 62' ' ' LEU . 29.9 p -55.17 -18.95 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -121.02 36.76 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.82 -59.64 2.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.55 156.26 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.84 -32.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 72.7 t -139.85 114.03 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.472 ' HE3' ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.33 140.51 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.789 HD23 HD11 ' A' ' 40' ' ' LEU . 1.5 tm? -137.67 104.6 5.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.446 ' CE2' ' HE3' ' A' ' 18' ' ' MET . 94.6 m-85 -100.31 114.89 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 14.4 ptm -135.88 174.45 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HA ' HD21 ' A' ' 53' ' ' LEU . 1.6 ttmm -94.63 103.83 15.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.83 -31.44 3.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.54 171.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 5.8 mtmt -49.07 -55.36 12.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -41.66 -28.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.729 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -111.15 -142.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.478 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 68.7 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -38.55 -47.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLU . 86.0 mt-30 -40.62 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.739 HD13 HD21 ' A' ' 19' ' ' LEU . 3.2 tt -40.42 -43.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.433 ' CD2' ' OH ' ' A' ' 47' ' ' TYR . 3.0 mt -61.43 -51.16 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' GLN . 3.1 mm-40 -55.84 -45.53 78.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.773 HG23 ' HE2' ' A' ' 91' ' ' LYS . 15.4 mt -66.73 -51.19 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.789 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -48.05 -25.16 1.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ILE . 3.1 m120 -89.42 -44.4 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.3 m -45.01 -40.55 6.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.826 HG21 ' CD2' ' A' ' 100' ' ' LEU . 32.4 p -53.45 -47.15 69.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.71 -15.28 52.82 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.125 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.878 HG12 ' HE3' ' A' ' 101' ' ' LYS . 26.7 m -66.94 -178.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.37 132.43 50.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.433 ' OH ' ' CD2' ' A' ' 37' ' ' LEU . 6.4 p90 -145.75 172.58 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -148.89 162.97 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.464 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 11.6 p -117.73 163.8 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.784 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 76.4 t80 -142.12 166.32 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.1 115.06 28.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.689 HD13 ' CD2' ' A' ' 71' ' ' TYR . 1.5 pt -92.72 -22.77 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -69.68 -72.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -45.42 -64.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.05 66.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' ARG . 1.9 pt-20 -45.17 -57.87 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -38.84 -45.38 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.849 HG13 ' CD2' ' A' ' 8' ' ' LEU . 88.2 t -67.46 -46.22 83.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -37.78 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 6.3 pt20 -74.58 -43.63 54.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.553 ' C ' HD11 ' A' ' 8' ' ' LEU . . . -45.17 -25.6 1.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.64 ' HG ' HD22 ' A' ' 8' ' ' LEU . 4.9 mt -85.48 -51.51 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.485 ' O ' ' CA ' ' A' ' 67' ' ' ASN . 23.5 pttt -40.04 -45.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 m -72.91 -39.93 65.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' LEU . 4.5 t80 -49.9 -41.31 45.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.566 ' HB3' HD22 ' A' ' 80' ' ' LEU . 70.6 m -122.37 18.38 10.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.485 ' CA ' ' O ' ' A' ' 63' ' ' LYS . 8.9 m-20 39.62 42.86 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.469 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 4.6 t-105 -150.93 101.15 3.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.414 ' CA ' ' HB2' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -74.98 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.469 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 2.2 m -38.53 138.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.689 ' CD2' HD13 ' A' ' 52' ' ' ILE . 1.6 m-85 -130.28 165.23 35.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.93 -174.75 14.63 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.057 -2.476 . . . . 0.0 110.981 -0.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.626 ' NE2' ' CE1' ' A' ' 71' ' ' TYR . 38.4 mt-30 -136.31 145.46 45.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.778 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -115.77 132.44 56.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.778 ' N ' HD13 ' A' ' 74' ' ' LEU . 47.0 m-85 -121.83 128.22 51.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.531 HG23 ' CD1' ' A' ' 74' ' ' LEU . 16.9 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 66' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 39.1 t -81.25 -54.39 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.597 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 162.63 -166.92 36.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.47 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -93.9 -167.36 37.57 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.491 HD22 ' O ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -53.77 -57.24 11.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.262 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.13 -41.01 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.643 ' O ' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -67.4 -69.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.576 ' N ' HG22 ' A' ' 86' ' ' ILE . 69.5 t -40.07 -50.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.522 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -56.46 -52.25 65.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -43.66 -52.32 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 86' ' ' ILE . 2.6 mm? -52.52 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.806 ' HB2' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -44.88 -46.88 11.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -39.16 -63.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -41.14 -51.9 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.26 46.34 0.17 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.408 ' HB3' ' HG2' ' A' ' 98' ' ' PRO . 29.6 mt-10 -146.32 -104.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.78 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.806 HD22 ' HB2' ' A' ' 91' ' ' LYS . 13.9 tp 69.97 -55.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.574 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.9 tm? -44.23 -47.97 24.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -22.09 15.19 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' LEU . 41.5 mm -77.57 -43.71 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.826 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -70.98 -56.08 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.878 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.8 mmpt? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.658 HD12 HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -47.43 -46.07 26.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' LYS . 12.4 t -56.33 -45.89 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.054 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.6 mt -54.87 -58.17 8.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.4 p -61.51 -16.9 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -116.96 27.76 8.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -80.11 -62.14 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.66 153.35 29.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.97 -50.6 8.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.065 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 47' ' ' TYR . 77.2 t -113.54 113.42 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.614 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -104.57 135.7 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.902 HD21 HD13 ' A' ' 36' ' ' ILE . 1.9 tm? -133.08 104.7 6.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 95.7 m-85 -96.65 126.73 42.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.5 ptm -161.39 153.51 19.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HB3' HD11 ' A' ' 52' ' ' ILE . 7.5 ptmt -82.85 117.14 22.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.23 -37.56 1.87 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.12 157.51 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.08 -39.92 6.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -44.95 -48.63 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -157.47 99.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.896 ' HB1' ' HB2' ' A' ' 33' ' ' SER . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.896 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -42.86 -36.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -44.95 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.902 HD13 HD21 ' A' ' 19' ' ' LEU . 6.2 tt -41.71 -48.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD12 ' CG2' ' A' ' 36' ' ' ILE . 8.8 mp -53.2 -53.64 47.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.33 -50.34 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.876 HG23 ' HE3' ' A' ' 91' ' ' LYS . 5.9 mt -61.38 -45.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.68 HD11 HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -55.28 -28.41 53.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -84.33 -50.63 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -39.98 -52.61 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.703 HG21 ' CD2' ' A' ' 100' ' ' LEU . 11.4 p -38.72 -36.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.07 -14.8 64.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.849 HG12 ' HE3' ' A' ' 101' ' ' LYS . 22.8 m -69.52 -171.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.38 138.57 51.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 4.8 p90 -150.57 169.4 21.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -135.13 165.03 26.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.7 p -123.96 158.95 30.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.377 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 1.054 ' CE1' HD11 ' A' ' 11' ' ' LEU . 80.8 t80 -137.57 162.34 34.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -102.63 120.68 40.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.561 HD11 ' HB3' ' A' ' 22' ' ' LYS . 1.3 pt -93.81 -17.43 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 22' ' ' LYS . 2.3 mt -77.56 -59.79 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -42.83 -57.84 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.1 104.99 15.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -42.64 44.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.86 -46.98 60.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.658 HG13 HD12 ' A' ' 8' ' ' LEU . 92.2 t -62.39 -45.56 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -53.03 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 2.8 pt20 -51.47 -37.06 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.25 -19.0 75.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' PHE . 8.5 mt -86.03 -63.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' ASN . 2.3 ptmt -42.87 -42.04 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.4 m -69.76 -38.99 76.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.8 t80 -49.81 -50.61 44.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -109.55 13.37 23.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' LYS . 20.0 t-20 40.31 36.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.5 ' C ' ' H ' ' A' ' 70' ' ' THR . 30.5 t-105 -127.74 77.56 76.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.035 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 29.75 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 68' ' ' TRP . 2.1 m -114.28 94.34 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.5 m-85 -91.64 163.51 27.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 -176.89 19.02 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.973 0.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.43 ' OE1' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -154.22 143.59 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -111.93 148.33 33.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.822 ' CE1' HD13 ' A' ' 80' ' ' LEU . 21.0 m-85 -134.74 127.72 31.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 74' ' ' LEU . 95.8 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.822 HD13 ' CE1' ' A' ' 75' ' ' TYR . 15.3 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.8 t -44.46 -71.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.643 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.1 -157.2 27.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.466 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -99.54 -178.76 31.1 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.501 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -44.52 -64.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -40.89 -41.77 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.643 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -70.15 -66.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.446 ' N ' HG22 ' A' ' 86' ' ' ILE . 69.0 t -39.93 -60.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -46.6 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 86' ' ' ILE . 1.1 tp10 -53.08 -59.43 4.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.7 mm? -49.65 -55.51 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.876 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.5 -60.19 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -44.83 -55.41 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -57.25 -48.13 79.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.6 34.62 1.53 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -136.55 59.07 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.631 HD13 ' HB2' ' A' ' 90' ' ' LEU . 6.5 tp -128.6 -44.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.2 -45.87 98.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.98 -18.38 18.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.83 -35.01 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.703 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -75.63 -55.54 5.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.849 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.2 mmpt? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.661 ' CD2' HG13 ' A' ' 58' ' ' VAL . 15.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -51.22 -46.34 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.82 -35.95 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.808 HD11 ' CE1' ' A' ' 50' ' ' PHE . 2.8 mt -68.93 -56.18 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -63.21 -14.56 50.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -121.23 23.35 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -60.05 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.76 157.33 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.15 -55.38 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -115.08 116.77 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.71 140.36 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.917 HD21 HD13 ' A' ' 36' ' ' ILE . 1.4 tm? -144.52 104.43 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.602 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 33.6 m-85 -90.65 105.92 18.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.487 ' SD ' HD11 ' A' ' 37' ' ' LEU . 17.7 ptm -126.75 166.35 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.68 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -101.25 124.84 47.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.9 -15.84 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER 64.9 165.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.626 ' CD ' HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -46.4 -42.94 15.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -53.68 -50.76 65.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.94 109.08 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.469 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 49.9 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -70.86 -49.74 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -48.29 -71.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.917 HD13 HD21 ' A' ' 19' ' ' LEU . 6.6 tt -40.12 -45.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD13 ' HG3' ' A' ' 25' ' ' LYS . 10.3 mt -58.89 -61.04 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -43.35 -37.32 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.727 HG23 ' HE3' ' A' ' 91' ' ' LYS . 23.0 mt -77.81 -46.78 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.716 HD11 HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -59.69 -23.76 63.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' LEU . 2.3 t30 -91.18 -41.92 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -40.73 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.448 HG21 ' CD2' ' A' ' 100' ' ' LEU . 2.0 p -40.71 -34.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.45 8.44 77.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.653 HG12 ' HE2' ' A' ' 101' ' ' LYS . 4.2 m -98.11 -167.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.07 132.41 50.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -146.32 167.09 24.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -142.21 174.28 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.626 HG21 ' CD ' ' A' ' 25' ' ' LYS . 9.0 p -131.86 167.38 19.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.808 ' CE1' HD11 ' A' ' 11' ' ' LEU . 75.4 t80 -141.47 156.17 45.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 2.9 p30 -92.74 111.53 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 22' ' ' LYS . 1.1 pp -91.51 -18.27 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 22' ' ' LYS . 19.9 mt -82.11 -64.28 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.64 -55.54 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.31 104.01 16.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.49 -34.4 41.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -57.81 -56.64 19.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.758 HG12 HD12 ' A' ' 62' ' ' LEU . 69.0 t -60.68 -36.75 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -55.22 -57.09 13.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -72.75 -26.42 61.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -75.43 -24.65 70.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.758 HD12 HG12 ' A' ' 58' ' ' VAL . 5.2 mt -85.74 -59.57 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.767 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.96 -30.62 10.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 m -80.49 -27.79 37.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.1 t80 -90.8 -14.37 32.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.5 p -112.39 -30.1 7.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' LYS . 17.1 t30 69.31 34.19 3.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.555 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 4.0 t-105 -140.18 70.27 34.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 32.61 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.555 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 4.4 m -101.44 -56.59 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.5 m-85 55.48 162.41 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.02 168.35 77.7 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.996 -0.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.611 ' O ' HD22 ' A' ' 19' ' ' LEU . 5.9 mm-40 -132.93 152.73 51.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 75' ' ' TYR . 2.5 tp -114.03 117.07 30.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 60.0 m-85 -114.61 128.99 56.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 82' ' ' GLY . 3.9 tt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.642 ' O ' HG21 ' A' ' 86' ' ' ILE . 85.2 t -74.46 -43.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.728 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 129.41 163.91 11.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.29 -179.35 2.14 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.588 ' C ' HD13 ' A' ' 84' ' ' LEU . 2.0 tm? -53.93 -48.26 70.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -30.37 13.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.728 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.6 mt -84.44 -62.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.507 HG11 HD21 ' A' ' 40' ' ' LEU . 86.2 t -41.31 -63.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -49.16 11.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.76 -55.6 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.465 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.2 mm? -59.66 -64.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.727 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -41.28 -56.68 2.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.31 -56.5 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -55.4 -43.83 75.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.7 33.24 3.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -135.68 45.6 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 100' ' ' LEU . 6.0 tp -112.88 -38.83 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.5 tm? -53.4 -45.77 98.33 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -11.67 21.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.5 mm -92.39 -30.15 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.478 HD11 HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -82.95 -54.73 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.653 ' HE2' HG12 ' A' ' 45' ' ' VAL . 22.0 mmtt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.527 HD23 ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -48.12 -47.09 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 p -54.29 -40.43 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.702 HD11 ' CD1' ' A' ' 50' ' ' PHE . 42.8 tp -65.64 -48.78 71.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.521 ' CG2' HD21 ' A' ' 62' ' ' LEU . 39.8 p -65.29 -13.93 59.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -121.55 34.98 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -75.05 -64.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.47 162.25 13.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 t -43.71 -41.33 4.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.435 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 83.6 t -129.93 116.47 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.421 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -96.58 134.09 40.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.857 HD21 HD13 ' A' ' 36' ' ' ILE . 1.7 tm? -128.33 105.99 8.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 53.1 m-85 -97.14 120.09 36.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.416 ' CE ' ' HB2' ' A' ' 33' ' ' SER . 11.3 ptm -154.14 173.87 15.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.706 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -95.82 107.31 19.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.18 -29.08 5.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER 57.21 168.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.767 ' HG2' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -40.29 -36.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -55.84 -49.04 74.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ASN . 27.1 tt0 -126.94 124.56 39.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.449 ' O ' HG22 ' A' ' 36' ' ' ILE . 6.9 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.8 tptm -36.92 -38.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -45.49 -66.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.857 HD13 HD21 ' A' ' 19' ' ' LEU . 6.6 tt -49.5 -41.3 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.767 HD23 ' HG2' ' A' ' 25' ' ' LYS . 10.0 mp -60.61 -61.33 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -42.14 -46.1 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.715 HG23 ' HD3' ' A' ' 91' ' ' LYS . 26.3 mt -71.88 -47.7 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.81 -25.86 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -88.55 -46.98 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 m -44.88 -46.01 10.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.923 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.573 HG21 ' CD2' ' A' ' 100' ' ' LEU . 18.7 p -43.75 -35.74 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.63 -12.33 70.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.839 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.1 m -74.87 -174.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -110.64 141.58 43.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.435 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 11.7 p90 -150.7 175.86 11.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.63 170.13 16.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.8 p -125.46 157.86 35.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.702 ' CD1' HD11 ' A' ' 11' ' ' LEU . 92.7 t80 -139.25 164.69 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 2.4 p30 -95.83 120.7 36.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -96.4 -20.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -83.79 -61.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.67 -52.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.56 95.06 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.61 -56.08 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -39.16 -51.02 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 62' ' ' LEU . 90.6 t -57.03 -49.26 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.4 ttp180 -54.12 -67.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.18 -40.81 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.8 -24.89 75.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.521 HD21 ' CG2' ' A' ' 12' ' ' THR . 7.3 mt -76.58 -60.4 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -51.07 -35.81 36.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.5 m -76.07 -25.02 55.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.527 ' CD2' HD23 ' A' ' 8' ' ' LEU . 6.3 t80 -62.7 -40.39 97.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.502 ' HB3' HD22 ' A' ' 80' ' ' LEU . 14.9 m -122.54 12.27 10.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER 46.52 38.34 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.425 ' CG ' HD21 ' A' ' 80' ' ' LEU . 66.4 t-105 -130.06 79.35 73.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.29 9.1 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.8 m -84.31 100.99 11.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.522 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 13.4 m-85 -104.76 158.25 32.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.9 171.52 67.54 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.057 -0.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.489 ' OE1' ' CE2' ' A' ' 75' ' ' TYR . 4.8 pt20 -143.07 145.41 32.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -94.43 132.87 38.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.713 ' N ' HD13 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -122.78 127.02 48.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.556 HG23 HD12 ' A' ' 74' ' ' LEU . 42.1 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 66' ' ' SER . 4.5 tp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -54.69 -68.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.497 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.5 -164.42 33.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.22 -167.55 34.29 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.532 ' C ' HD13 ' A' ' 84' ' ' LEU . 2.3 tm? -46.6 -62.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.46 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -40.73 -35.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.497 HG21 ' HA3' ' A' ' 82' ' ' GLY . 0.9 OUTLIER -81.78 -66.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.505 HG13 HD21 ' A' ' 96' ' ' LEU . 74.8 t -40.23 -50.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -50.31 73.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.08 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.43 -58.35 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.496 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.0 mm? -54.21 -48.27 71.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.715 ' HD3' HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -52.26 -67.27 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -40.38 -61.43 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -50.89 -48.13 60.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.87 46.08 0.85 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -143.96 57.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.505 HD21 HG13 ' A' ' 87' ' ' VAL . 7.5 tp -130.3 -47.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.54 -46.26 95.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.99 -16.65 20.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 33.6 mm -86.37 -41.82 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.573 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -70.4 -51.54 28.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.839 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.4 mmpt? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.677 ' CD1' HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -44.14 -48.78 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' LYS . 5.4 p -52.89 -41.11 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.08 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.4 mt -60.87 -51.32 69.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.44 ' CG2' ' CD2' ' A' ' 62' ' ' LEU . 74.5 p -67.08 -11.1 56.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -124.82 25.15 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -76.72 -63.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.72 162.08 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.12 -41.89 68.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.584 HG13 HD13 ' A' ' 74' ' ' LEU . 53.1 t -123.39 106.24 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.534 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -93.17 142.95 26.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.795 HD21 HD13 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -142.33 112.29 6.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CD2' ' HB3' ' A' ' 50' ' ' PHE . 89.6 m-85 -110.54 115.44 29.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.472 ' SD ' ' CB ' ' A' ' 33' ' ' SER . 0.2 OUTLIER -146.28 178.82 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.826 ' HG3' HD11 ' A' ' 52' ' ' ILE . 18.2 mtmt -95.31 101.9 13.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.37 -34.14 1.93 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.94 168.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 5.6 mtmt -55.55 -31.62 62.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -44.19 -47.97 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -178.25 95.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB1' ' HE1' ' A' ' 21' ' ' MET . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.472 ' CB ' ' SD ' ' A' ' 21' ' ' MET . 16.4 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' SER . 9.2 tptt -37.43 -40.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -49.79 -64.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.795 HD13 HD21 ' A' ' 19' ' ' LEU . 3.5 tt -45.75 -42.16 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.707 HD12 HG22 ' A' ' 36' ' ' ILE . 9.1 mp -62.43 -52.11 64.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.52 -46.41 57.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mt -70.83 -48.24 58.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.737 HD11 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.95 -24.0 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.43 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 78.3 m-20 -86.86 -35.4 19.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -47.34 65.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -48.06 -32.93 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.0 21.28 67.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.746 HG12 ' HE2' ' A' ' 101' ' ' LYS . 18.8 m -96.73 -170.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -86.37 121.38 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 5.5 p90 -150.95 174.22 13.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.3 -177.55 6.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p -147.12 145.76 29.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 1.08 ' CE1' HD11 ' A' ' 11' ' ' LEU . 65.7 t80 -125.13 167.45 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.486 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -107.79 123.01 47.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.826 HD11 ' HG3' ' A' ' 22' ' ' LYS . 2.8 pt -95.46 -28.12 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.505 HD21 ' HG2' ' A' ' 22' ' ' LYS . 3.6 mt -67.17 -59.89 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.22 -64.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.64 96.78 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -41.5 82.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -47.38 -42.06 21.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.677 HG13 ' CD1' ' A' ' 8' ' ' LEU . 46.7 t -72.92 -46.5 52.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.415 ' CG ' ' HD2' ' A' ' 63' ' ' LYS . 20.9 ttp180 -43.33 -67.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 61' ' ' GLY . 4.7 pt20 -56.36 -35.07 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 60' ' ' GLN . . . -62.83 -63.9 4.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.66 ' HA ' HD21 ' A' ' 8' ' ' LEU . 16.7 mt -48.09 -53.3 16.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 67' ' ' ASN . 29.1 mtpt -50.4 -31.15 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.8 m -84.59 -48.03 9.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.42 -26.72 13.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 58.2 m -113.58 -30.62 6.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 66' ' ' SER . 37.1 t30 79.9 39.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.501 ' C ' ' H ' ' A' ' 70' ' ' THR . 1.2 t-105 -134.11 68.0 73.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.473 ' CB ' ' HE2' ' A' ' 63' ' ' LYS . 18.5 Cg_endo -74.96 34.78 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.501 ' H ' ' C ' ' A' ' 68' ' ' TRP . 7.9 m -111.98 -47.82 3.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.3 m-85 55.69 161.93 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 171.59 67.35 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.028 -0.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.435 ' NE2' ' CD2' ' A' ' 68' ' ' TRP . 1.8 mt-30 -143.99 133.85 23.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.747 HD23 HG22 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -104.25 152.78 21.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.723 ' N ' HD12 ' A' ' 74' ' ' LEU . 91.7 m-85 -139.59 139.39 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.496 HD13 ' CE1' ' A' ' 75' ' ' TYR . 6.4 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.415 HG21 HD21 ' A' ' 74' ' ' LEU . 61.1 t -45.88 -67.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.596 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 153.96 179.04 29.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.488 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -65.86 -165.73 1.7 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -66.32 -45.66 79.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.331 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -30.35 52.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.596 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -75.84 -67.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.747 HG22 HD23 ' A' ' 74' ' ' LEU . 82.0 t -40.52 -55.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -57.01 12.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -40.27 -50.97 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' LYS . 2.4 mm? -61.52 -67.78 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' LEU . 18.1 tptp -40.37 -49.92 2.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -53.15 -51.66 61.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -63.51 -42.18 98.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.91 42.87 2.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -145.85 56.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.6 tp -118.37 -40.11 2.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.7 tm? -53.66 -45.81 98.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.97 -10.32 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 111.025 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.0 mm -94.32 -31.79 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -80.09 -53.68 6.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.746 ' HE2' HG12 ' A' ' 45' ' ' VAL . 14.7 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 62' ' ' LEU . 12.2 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -47.27 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.8 p -47.27 -54.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.59 HD21 ' CE2' ' A' ' 50' ' ' PHE . 5.2 tp -53.73 -52.22 60.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.9 p -63.89 -12.4 36.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -126.68 28.66 5.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' VAL . 6.0 tttm -74.0 -57.13 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . . . -118.3 155.25 30.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -40.0 -53.43 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG13 HD13 ' A' ' 74' ' ' LEU . 79.0 t -118.1 111.4 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.44 ' HE1' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.98 145.34 24.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.021 HD21 HD13 ' A' ' 36' ' ' ILE . 1.1 tm? -146.85 105.83 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 96.8 m-85 -98.46 123.78 42.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 33' ' ' SER . 4.3 ptm -149.64 178.39 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.594 ' HA ' HD21 ' A' ' 53' ' ' LEU . 7.7 ptmt -102.92 123.66 46.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.43 -16.88 37.52 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 57.24 174.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 0.815 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE2' ' CE1' ' A' ' 47' ' ' TYR . 6.8 mtmt -46.56 -35.6 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -58.26 -63.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.81 123.38 46.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.461 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 2.9 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.553 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -80.76 -50.78 9.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -39.4 -58.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.021 HD13 HD21 ' A' ' 19' ' ' LEU . 7.6 tt -56.39 -40.97 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LYS . 8.1 mt -61.93 -45.52 93.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -56.18 -43.29 78.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.812 HG23 ' HE3' ' A' ' 91' ' ' LYS . 46.7 mt -74.94 -46.44 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -50.04 -23.6 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -91.62 -55.35 3.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.79 -40.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 p -44.99 -42.89 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.34 -2.13 67.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.819 HG12 ' HE3' ' A' ' 101' ' ' LYS . 13.0 m -83.47 -169.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.49 128.71 56.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.448 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 10.8 p90 -142.9 171.77 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . 3.5 mm-40 -144.57 167.88 21.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -127.49 163.75 23.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CE2' HD21 ' A' ' 11' ' ' LEU . 80.9 t80 -137.48 167.56 21.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.6 115.5 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -93.31 -27.08 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -64.4 -73.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.75 -68.86 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.89 89.11 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.8 -46.89 56.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.88 -42.64 5.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.484 HG13 ' CD2' ' A' ' 8' ' ' LEU . 79.5 t -78.73 -38.66 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -40.86 -45.35 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -91.77 -36.45 13.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -59.83 -30.67 69.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.566 ' HA ' HD13 ' A' ' 8' ' ' LEU . 1.4 mt -79.51 -67.38 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -39.72 -41.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 m -68.95 -45.34 70.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.0 t80 -46.9 -64.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -79.23 -30.02 43.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 66' ' ' SER . 40.6 t30 80.39 37.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.422 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 23.9 t-105 -138.35 79.01 31.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 0.66 8.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.1 m -82.59 64.54 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.521 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.1 m-85 -67.41 159.7 76.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.98 -176.69 18.58 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.028 -0.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -159.38 136.54 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.862 HD12 ' H ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -97.65 158.76 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.862 ' H ' HD12 ' A' ' 74' ' ' LEU . 5.9 m-85 -131.79 127.73 37.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.644 ' CG2' HG21 ' A' ' 81' ' ' VAL . 87.9 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.644 HG21 ' CG2' ' A' ' 76' ' ' VAL . 39.5 t -87.16 -61.64 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.594 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.47 -174.14 34.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.666 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -96.37 -141.36 11.94 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.14 -60.17 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.52 -33.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.594 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.1 mp -86.3 -66.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 83' ' ' GLY . 49.6 t -39.7 -58.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -50.09 -51.71 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 8.9 tt0 -42.46 -46.4 4.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.554 ' HB2' HD13 ' A' ' 96' ' ' LEU . 1.7 mm? -72.28 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.812 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -45.64 -66.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -42.11 -57.06 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 89' ' ' GLU . 61.0 m-20 -52.9 -40.72 63.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 91' ' ' LYS . . . 105.18 37.3 2.71 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -141.42 54.72 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 90' ' ' LEU . 7.0 tp -125.44 -43.96 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tm? -52.39 -46.08 94.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.03 -20.78 16.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.575 1.829 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -81.51 -40.54 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.472 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -71.35 -55.75 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.819 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.2 mmpt? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.804 ' CD2' HG13 ' A' ' 58' ' ' VAL . 21.8 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -51.38 -47.52 62.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.59 -32.36 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.532 HD11 ' CD1' ' A' ' 50' ' ' PHE . 33.1 tp -75.92 -45.53 34.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 8' ' ' LEU . 71.0 p -68.22 -12.91 61.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -115.98 23.75 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.89 158.83 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.462 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -44.27 -49.85 9.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 90.1 t -119.49 112.95 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.517 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.61 143.26 27.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.011 HD21 HD13 ' A' ' 36' ' ' ILE . 1.9 tm? -142.4 106.3 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 12' ' ' THR . 73.7 m-85 -97.93 104.89 16.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.1 ptm -127.95 164.51 22.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.775 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.3 OUTLIER -96.66 107.23 19.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.71 -19.08 4.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER 58.65 158.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.67 -30.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 24' ' ' ASN . 66.2 mm-40 -55.35 -62.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.62 145.46 48.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB2' ' HD2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HD2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -87.03 -43.17 12.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -61.51 -60.48 3.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.011 HD13 HD21 ' A' ' 19' ' ' LEU . 5.4 tt -41.48 -44.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.761 HD21 HG21 ' A' ' 49' ' ' THR . 6.7 mt -59.6 -62.17 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -46.43 -37.32 7.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.623 HG23 ' HD3' ' A' ' 91' ' ' LYS . 69.8 mt -73.15 -52.73 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.656 HD11 HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -52.55 -24.76 8.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.56 -45.24 9.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -46.02 26.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -41.82 -37.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.9 -4.5 71.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.908 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.7 m -81.7 -170.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 16' ' ' SER . 12.7 pt-20 -108.18 137.04 46.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.427 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 10.7 p90 -150.82 174.86 12.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -147.91 164.67 33.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.761 HG21 HD21 ' A' ' 37' ' ' LEU . 23.5 p -125.24 145.29 50.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 11' ' ' LEU . 86.4 t80 -119.73 167.14 12.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.506 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 15.3 p-10 -99.4 111.06 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.775 HD11 ' HB3' ' A' ' 22' ' ' LYS . 1.2 pp -90.88 -28.63 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.79 -68.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -39.13 -55.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.68 103.12 15.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.55 -45.65 17.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -48.72 -43.34 37.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.804 HG13 ' CD2' ' A' ' 8' ' ' LEU . 70.8 t -75.42 -33.45 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -53.14 -60.88 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.461 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 4.4 pt20 -70.77 -31.21 67.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.21 -44.2 94.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.61 HD12 HG12 ' A' ' 58' ' ' VAL . 5.4 mt -64.74 -65.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.76 -36.55 5.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.4 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 8.8 m -73.53 -35.88 65.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.9 t80 -51.69 -42.17 61.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -122.32 16.56 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.037 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' LYS . 21.8 t-20 42.22 37.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.487 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 3.0 t-105 -129.51 82.68 66.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HA ' ' CB ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.0 -18.67 18.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.6 m -57.67 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.704 ' CD1' ' NE2' ' A' ' 73' ' ' GLN . 6.8 m-85 -95.18 163.31 22.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 178.32 35.21 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.005 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.704 ' NE2' ' CD1' ' A' ' 71' ' ' TYR . 30.0 mt-30 -139.3 134.03 32.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.894 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -100.63 135.31 42.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.894 ' N ' HD12 ' A' ' 74' ' ' LEU . 68.3 m-85 -129.74 136.47 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 75' ' ' TYR . 5.3 tt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.3 t -59.77 -59.63 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.468 ' N ' HD23 ' A' ' 80' ' ' LEU . . . 149.96 -158.58 27.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.44 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -103.73 -152.99 23.28 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.33 -59.93 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -41.63 -45.77 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.487 HG23 HD11 ' A' ' 90' ' ' LEU . 1.1 mp -65.28 -67.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.611 HG22 HD23 ' A' ' 74' ' ' LEU . 56.1 t -43.0 -55.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -56.58 17.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 18.6 tt0 -44.2 -67.15 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.487 HD11 HG23 ' A' ' 86' ' ' ILE . 2.4 mt -48.26 -60.9 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.623 ' HD3' HG23 ' A' ' 39' ' ' ILE . 4.3 tptp -45.34 -35.52 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 9.3 t0 -56.41 -65.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 90' ' ' LEU . 27.6 p30 -67.48 -19.26 65.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . 84.85 54.87 2.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -134.86 37.61 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 87' ' ' VAL . 4.6 tp -116.88 -38.24 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tm? -54.9 -45.01 99.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.02 -28.2 9.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.4 mm -76.34 -33.14 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.606 HD11 HD21 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -76.37 -61.06 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.364 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.908 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.637 HD21 HG13 ' A' ' 58' ' ' VAL . 10.8 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -45.37 -49.55 12.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.16 -39.18 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.83 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -67.3 -46.55 73.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -73.63 -5.56 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -128.22 18.87 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -57.47 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.74 176.83 4.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -59.99 -59.69 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.751 HG13 HD13 ' A' ' 74' ' ' LEU . 54.5 t -111.76 112.72 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.548 ' HE1' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -93.2 134.33 35.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.014 HD21 HD13 ' A' ' 36' ' ' ILE . 2.2 tm? -137.64 107.06 6.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 69.4 m-85 -98.1 124.87 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.4 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 3.5 ptt? -148.85 178.19 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.619 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -105.29 121.92 44.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 24' ' ' ASN . . . 120.65 -20.96 8.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 58.89 157.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HG3' HG21 ' A' ' 49' ' ' THR . 3.7 mtmt -42.92 -40.1 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -44.12 -51.26 8.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -137.13 133.33 35.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.4 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 1.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 2.4 tttp -75.81 -48.22 22.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.8 -70.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.014 HD13 HD21 ' A' ' 19' ' ' LEU . 4.1 tt -42.87 -41.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.23 -61.86 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -42.8 -38.6 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.014 HG23 ' HE3' ' A' ' 91' ' ' LYS . 5.3 mt -75.96 -51.0 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.668 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.84 -23.06 11.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.426 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 1.4 m-20 -92.95 -38.3 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -51.51 -25.96 7.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.67 HG21 HD23 ' A' ' 100' ' ' LEU . 3.2 p -67.19 -31.07 71.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.71 -7.69 68.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.432 1.083 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.805 HG12 ' HE3' ' A' ' 101' ' ' LYS . 27.7 m -71.89 -170.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.86 134.63 45.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.455 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 31.7 p90 -150.2 176.9 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.29 -176.78 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.483 HG21 ' HG3' ' A' ' 25' ' ' LYS . 27.3 p -143.05 163.98 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.83 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 83.6 t80 -145.6 167.13 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 12.0 t0 -102.25 124.88 48.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -101.68 -21.85 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -69.21 -67.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.54 -66.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.65 87.44 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' ARG . 18.7 mt-10 -63.84 -50.77 67.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -42.82 -44.82 4.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.637 HG13 HD21 ' A' ' 8' ' ' LEU . 85.1 t -67.72 -39.81 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' GLU . 49.9 ttt180 -46.37 -52.1 13.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 2.3 mt-30 -88.7 -23.34 23.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.501 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -70.67 -26.86 73.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.629 ' HG ' HD22 ' A' ' 8' ' ' LEU . 4.8 mt -88.11 -63.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -41.72 -36.62 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.8 m -70.49 -61.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -40.5 -59.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.1 OUTLIER -76.66 -29.48 56.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.4 t30 76.22 38.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.74 ' CB ' HD21 ' A' ' 80' ' ' LEU . 1.9 t-105 -152.44 95.02 3.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.48 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -38.33 103.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.483 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.5 m-85 -107.52 165.76 12.23 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HG2' HD12 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.01 -173.43 12.32 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.805 ' CD ' HD11 ' A' ' 80' ' ' LEU . 30.0 mt-30 -158.43 135.83 10.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.93 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -99.24 156.35 17.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.867 ' H ' HD12 ' A' ' 74' ' ' LEU . 1.5 m-85 -127.62 125.65 40.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 99' ' ' ILE . 70.1 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.805 HD11 ' CD ' ' A' ' 73' ' ' GLN . 33.5 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.93 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.7 m -44.82 -65.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.718 ' H ' HG23 ' A' ' 81' ' ' VAL . . . 143.05 -179.59 20.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -49.7 -178.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 85' ' ' ASP . 0.8 OUTLIER -62.14 -54.31 42.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.54 ' N ' HD13 ' A' ' 84' ' ' LEU . 22.5 m-20 -48.15 -35.19 11.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.647 HG22 ' N ' ' A' ' 87' ' ' VAL . 0.9 OUTLIER -64.58 -72.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.647 ' N ' HG22 ' A' ' 86' ' ' ILE . 72.0 t -40.42 -56.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -48.5 -49.29 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -45.67 -58.75 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.722 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.9 mm? -47.1 -40.2 14.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 1.014 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -66.27 -48.79 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.8 -45.96 81.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -69.51 -58.15 4.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.17 55.33 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 2.3 mt-10 -148.14 51.16 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.016 ' O ' HD22 ' A' ' 100' ' ' LEU . 4.1 tp -118.93 -63.54 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.7 HD13 ' HG3' ' A' ' 101' ' ' LYS . 2.1 tm? -48.57 -46.72 70.9 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.06 -9.41 20.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.779 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 8.9 mm -95.49 -38.03 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.016 HD22 ' O ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -76.72 -47.77 20.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.805 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.6 mmpt? . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.679 ' CD2' HG13 ' A' ' 58' ' ' VAL . 10.6 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -48.79 15.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -46.98 -42.68 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.511 HD21 ' CD1' ' A' ' 50' ' ' PHE . 39.4 tp -62.1 -62.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.415 ' CG2' HD21 ' A' ' 62' ' ' LEU . 44.0 p -53.68 -22.48 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -108.12 25.66 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -70.24 -59.16 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.57 167.35 10.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -54.86 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 90.8 t -120.34 118.48 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.1 mmm -102.6 150.68 23.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 36' ' ' ILE . 1.4 tm? -148.86 105.85 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.362 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -94.02 131.54 39.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.614 ' SD ' HD11 ' A' ' 37' ' ' LEU . 21.4 ptm -159.67 176.13 12.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -100.99 111.52 23.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 24' ' ' ASN . . . 133.17 -38.53 1.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.427 1.08 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER 77.21 164.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 0.726 . . . . 0.0 109.258 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -47.87 -45.16 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -43.2 -49.34 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.72 99.5 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.636 ' O ' HD13 ' A' ' 37' ' ' LEU . 11.2 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -64.46 -33.2 75.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -47.49 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 110.24 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.936 HD13 HD21 ' A' ' 19' ' ' LEU . 6.8 tt -40.64 -51.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 33' ' ' SER . 7.1 mp -48.3 -61.55 1.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -46.53 -47.76 19.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.969 HG23 ' HE2' ' A' ' 91' ' ' LYS . 22.8 mt -62.54 -47.04 94.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.762 HD11 HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -59.65 -22.56 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -92.15 -39.78 11.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.1 -45.92 61.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.958 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.488 HG21 HD23 ' A' ' 100' ' ' LEU . 3.3 p -47.0 -31.15 3.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.45 -21.92 29.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.566 HG12 ' HE2' ' A' ' 101' ' ' LYS . 20.0 m -55.95 -172.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 9.0 pt-20 -114.79 122.25 45.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 8.1 p90 -134.61 173.93 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -145.82 166.55 25.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.2 p -126.17 166.87 16.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.511 ' CD1' HD21 ' A' ' 11' ' ' LEU . 91.8 t80 -135.89 159.45 41.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -99.82 111.66 23.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -91.02 -22.71 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -62.57 -68.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -43.34 -69.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.65 95.86 8.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.93 -40.04 65.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -50.91 -43.64 59.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.679 HG13 ' CD2' ' A' ' 8' ' ' LEU . 85.1 t -66.69 -40.32 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -59.0 -49.75 76.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -75.13 -30.28 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.43 ' C ' ' CD1' ' A' ' 8' ' ' LEU . . . -73.51 -34.79 56.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.61 HD12 HG12 ' A' ' 58' ' ' VAL . 5.4 mt -68.96 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.86 -38.79 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.411 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 7.3 m -69.17 -24.05 64.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -88.53 -55.53 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 3.8 m -72.01 -29.64 64.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER 74.61 33.31 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.413 ' NE1' ' O ' ' A' ' 70' ' ' THR . 28.5 t-105 -147.85 85.75 6.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 108.025 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -6.35 17.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.413 ' O ' ' NE1' ' A' ' 68' ' ' TRP . 4.2 m -82.9 81.31 8.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.484 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.8 m-85 -71.11 164.54 55.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.02 -173.98 13.31 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.003 0.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.453 ' O ' HD22 ' A' ' 19' ' ' LEU . 8.5 mt-30 -136.93 159.47 41.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -124.96 130.53 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.82 ' N ' HD13 ' A' ' 74' ' ' LEU . 94.1 m-85 -126.93 127.06 44.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.697 HG23 ' CD1' ' A' ' 74' ' ' LEU . 69.4 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.419 ' CG2' HD12 ' A' ' 74' ' ' LEU . 97.9 t -84.46 -60.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.654 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 163.01 -171.08 38.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.416 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -97.35 -165.42 32.26 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.729 HD23 ' HB ' ' A' ' 36' ' ' ILE . 2.1 tm? -53.54 -58.38 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.417 ' N ' HD13 ' A' ' 84' ' ' LEU . 15.8 m-20 -44.37 -36.71 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.654 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -76.75 -64.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 40' ' ' LEU . 70.0 t -41.87 -49.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -49.36 77.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -47.31 -52.9 14.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.699 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.7 mm? -59.34 -60.54 3.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.969 ' HE2' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -46.06 -58.41 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -44.11 -63.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -54.08 -36.78 63.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.2 37.98 3.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -134.38 52.19 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 90' ' ' LEU . 5.5 tp -129.66 -45.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 101' ' ' LYS . 2.1 tm? -52.9 -46.28 97.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.0 -9.4 20.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mm -94.02 -39.13 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.525 HD21 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -76.19 -48.23 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.644 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.608 HD22 ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.91 -42.3 26.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -60.25 -35.21 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' LYS . 29.9 tp -68.12 -65.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.622 HG22 ' CE2' ' A' ' 20' ' ' PHE . 76.4 p -50.38 -22.07 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -109.84 32.57 4.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.1 tttm -73.77 -66.35 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.28 -178.81 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.14 -34.98 79.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG13 HD13 ' A' ' 74' ' ' LEU . 64.9 t -133.11 108.4 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.457 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.69 131.82 37.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.894 HD21 HD13 ' A' ' 36' ' ' ILE . 2.6 tm? -133.65 105.73 7.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.622 ' CE2' HG22 ' A' ' 12' ' ' THR . 84.5 m-85 -90.23 113.48 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.508 ' HE1' ' HB2' ' A' ' 28' ' ' ALA . 23.4 ptm -140.82 174.9 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.669 ' HA ' HD21 ' A' ' 53' ' ' LEU . 16.3 ptmt -115.64 134.11 55.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . 102.65 13.14 30.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 54.7 -179.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' CE ' ' OG1' ' A' ' 49' ' ' THR . 0.4 OUTLIER -67.27 -47.42 70.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -52.28 -62.12 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -79.56 104.95 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB2' ' HE1' ' A' ' 21' ' ' MET . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' GLN . 5.0 tptm -76.61 -51.37 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -37.59 -64.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.894 HD13 HD21 ' A' ' 19' ' ' LEU . 5.7 tt -48.56 -44.15 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' LYS . 3.6 mt -62.53 -61.92 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.9 -38.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.894 HG23 ' HE3' ' A' ' 91' ' ' LYS . 5.5 mt -78.24 -53.43 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.597 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -47.29 -30.0 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.496 ' OD1' ' CE2' ' A' ' 47' ' ' TYR . 3.0 m-20 -84.54 -35.97 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' ILE . 70.2 m -51.44 -45.73 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.741 HG21 HD23 ' A' ' 100' ' ' LEU . 18.2 p -48.44 -31.03 5.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.41 -7.19 61.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.757 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.1 m -73.64 -170.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -103.45 132.69 49.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CE2' ' OD1' ' A' ' 41' ' ' ASN . 8.9 p90 -143.37 173.8 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -149.65 175.47 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.498 ' OG1' ' CE ' ' A' ' 25' ' ' LYS . 39.9 p -134.77 154.55 51.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.422 ' CD1' HD11 ' A' ' 11' ' ' LEU . 89.6 t80 -128.79 166.77 18.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.37 99.56 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.35 -19.53 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.669 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -70.1 -65.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.86 -84.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.27 111.31 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -82.14 -51.58 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -46.38 -42.0 14.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.69 HG12 HD12 ' A' ' 62' ' ' LEU . 48.8 t -65.78 -41.1 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -59.83 -65.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -52.5 -39.66 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.31 -38.1 81.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.69 HD12 HG12 ' A' ' 58' ' ' VAL . 10.6 mt -70.53 -63.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.06 -31.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.2 m -81.71 -51.95 7.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.608 ' CD1' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -40.36 -33.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.659 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -113.43 -30.29 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 63' ' ' LYS . 34.0 t30 79.76 40.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.511 ' C ' ' H ' ' A' ' 70' ' ' THR . 8.6 t-105 -135.61 71.57 64.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 31.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 68' ' ' TRP . 99.2 m -97.99 -56.05 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.507 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.9 m-85 55.5 161.93 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.1 Cg_endo -75.04 164.58 88.06 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.973 0.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.708 ' NE2' HD11 ' A' ' 80' ' ' LEU . 2.8 mt-30 -137.69 154.67 49.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -113.22 140.2 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.651 ' N ' HD12 ' A' ' 74' ' ' LEU . 13.1 m-85 -124.93 130.73 52.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.708 HD11 ' NE2' ' A' ' 73' ' ' GLN . 4.4 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.444 ' CG2' ' HG ' ' A' ' 74' ' ' LEU . 18.5 t -74.71 -63.08 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.708 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 148.39 -179.32 25.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.1 -173.5 20.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 35' ' ' GLN . 33.7 tp -57.1 -52.73 64.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.23 -36.16 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.708 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -74.33 -64.47 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.407 ' N ' HG22 ' A' ' 86' ' ' ILE . 78.9 t -43.11 -59.9 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -54.41 6.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -44.37 -57.01 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.611 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.3 mm? -55.32 -55.92 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.894 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.08 -55.59 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.2 -54.92 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -54.5 -54.2 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.71 36.99 0.93 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 0.9 OUTLIER -140.29 51.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.263 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' A' ' 90' ' ' LEU . 5.5 tp -122.6 -42.55 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.612 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.0 tm? -52.78 -45.96 96.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.02 -19.92 17.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 38.6 mm -82.54 -39.95 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.741 HD23 HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -72.8 -54.48 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.757 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.77 HD21 ' HA ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.34 -46.8 4.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' LYS . 8.1 p -56.21 -47.7 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.88 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 1.7 mt -48.59 -57.78 5.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 p -60.51 -21.33 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -115.99 34.14 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -86.83 -55.34 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -117.22 155.77 28.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -38.98 -62.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.412 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 98.7 t -111.2 117.56 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.734 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -98.45 141.95 30.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.879 HD21 HD13 ' A' ' 36' ' ' ILE . 1.5 tm? -143.16 104.27 4.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 95.0 m-85 -93.2 131.01 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.4 ptm -146.76 178.8 8.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.863 ' CG ' HD11 ' A' ' 52' ' ' ILE . 19.9 mttp -109.65 105.33 14.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 24' ' ' ASN . . . 130.73 -33.37 2.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER 79.06 160.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -32.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -48.39 -56.46 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -137.09 133.13 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.798 ' HB1' ' OG ' ' A' ' 33' ' ' SER . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.798 ' OG ' ' HB1' ' A' ' 28' ' ' ALA . 11.1 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' N ' ' OG ' ' A' ' 33' ' ' SER . 5.9 pttp -38.68 -40.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -43.64 -61.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.879 HD13 HD21 ' A' ' 19' ' ' LEU . 6.2 tt -53.24 -38.94 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.674 HD12 ' CG2' ' A' ' 36' ' ' ILE . 9.3 mp -64.06 -49.18 73.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.84 -40.02 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.576 HG23 ' CE ' ' A' ' 91' ' ' LYS . 24.3 mt -73.42 -50.06 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.655 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -51.35 -22.56 2.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -90.04 -40.67 12.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.15 -44.44 21.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 100' ' ' LEU . 4.8 p -48.87 -49.54 39.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.87 -18.03 22.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 101' ' ' LYS . 34.2 m -65.6 -179.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -113.09 122.7 48.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 47' ' ' TYR . 4.8 p90 -128.94 171.08 12.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -139.33 164.89 28.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.6 p -124.16 156.4 36.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.39 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.88 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 86.7 t80 -130.05 167.71 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 14.5 t0 -105.82 115.19 29.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.863 HD11 ' CG ' ' A' ' 22' ' ' LYS . 2.6 pt -91.36 -30.46 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -55.13 -64.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.16 55.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.665 ' OD1' HG23 ' A' ' 58' ' ' VAL . 2.1 t0 173.95 49.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.73 -39.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -55.99 -50.34 71.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.665 HG23 ' OD1' ' A' ' 55' ' ' ASP . 54.7 t -67.71 -37.05 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -58.76 -52.39 65.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.471 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 8.3 pt20 -73.31 -36.11 66.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.8 -38.57 96.35 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.77 ' HA ' HD21 ' A' ' 8' ' ' LEU . 7.5 mt -69.59 -66.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -42.45 -44.94 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.7 m -65.82 -40.8 92.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.9 t80 -45.77 -56.03 5.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.517 ' HB3' HD22 ' A' ' 80' ' ' LEU . 17.0 m -110.34 19.55 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.1 m120 40.58 43.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.507 ' C ' ' H ' ' A' ' 70' ' ' THR . 52.5 t-105 -127.05 73.64 76.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.001 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HA ' ' CB ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.05 29.68 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.507 ' H ' ' C ' ' A' ' 68' ' ' TRP . 80.9 p -121.36 92.62 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.608 ' CE2' HD13 ' A' ' 52' ' ' ILE . 4.9 m-85 -82.67 163.3 52.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.95 -174.97 15.05 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.027 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -136.15 157.24 47.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -128.25 136.1 50.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.731 ' N ' HD13 ' A' ' 74' ' ' LEU . 63.3 m-85 -128.22 127.16 42.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.549 HG23 HD12 ' A' ' 74' ' ' LEU . 96.1 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 66' ' ' SER . 1.7 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.421 HG21 ' CG2' ' A' ' 76' ' ' VAL . 79.7 t -97.57 -56.35 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.622 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 150.85 -169.92 30.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.55 -167.95 32.52 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.517 ' C ' HD13 ' A' ' 84' ' ' LEU . 3.1 tm? -45.84 -63.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -39.74 -37.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.622 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -79.06 -67.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.568 HG22 ' HG ' ' A' ' 74' ' ' LEU . 75.6 t -40.04 -53.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -52.7 58.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -42.19 -50.47 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.556 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.9 mm? -62.56 -62.78 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.576 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -45.86 -61.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.75 -61.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -52.88 -30.15 32.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' LYS . . . 91.28 44.08 4.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -140.24 45.96 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.556 HD13 ' HB2' ' A' ' 90' ' ' LEU . 5.0 tp -123.88 -42.31 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.42 -46.03 98.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.01 -12.16 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.3 mm -87.19 -39.45 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.698 ' N ' HD13 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -80.3 -52.78 7.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.515 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.689 HD12 HG13 ' A' ' 58' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.06 -40.6 45.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' LYS . 2.6 p -65.11 -37.17 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.683 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 2.3 mt -59.26 -41.75 89.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 8' ' ' LEU . 28.4 p -72.61 -41.65 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.524 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 12.4 p30 -93.5 21.96 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' VAL . 3.9 ttmt -69.03 -61.38 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.716 ' HB3' ' HG2' ' A' ' 48' ' ' GLU . . . -113.4 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -49.84 69.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.8 t -120.48 111.21 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -96.54 138.08 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.043 HD21 HD13 ' A' ' 36' ' ' ILE . 2.3 tm? -137.73 105.59 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 96.4 m-85 -98.46 113.52 25.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.451 ' CE ' ' O ' ' A' ' 22' ' ' LYS . 12.2 ptm -141.19 178.54 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -102.36 117.72 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.69 -23.47 11.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 60.38 -179.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.692 ' HG3' HG21 ' A' ' 49' ' ' THR . 12.8 mtmt -58.84 -40.73 85.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' LYS . 81.8 mm-40 -38.64 -44.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.64 140.4 14.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.513 ' O ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -48.13 -32.55 7.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . 45.3 mm-40 -53.39 -71.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.043 HD13 HD21 ' A' ' 19' ' ' LEU . 4.6 tt -38.95 -41.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.577 HD12 ' CG2' ' A' ' 36' ' ' ILE . 9.3 mp -62.49 -56.68 15.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.91 -45.75 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.832 HG23 ' HE3' ' A' ' 91' ' ' LYS . 13.2 mt -71.92 -48.82 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.61 HD11 ' CD2' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -54.51 -30.12 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -88.65 -26.77 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -60.94 -30.23 70.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 100' ' ' LEU . 24.4 p -67.18 -29.47 69.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.8 17.23 73.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.732 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.8 m -97.66 174.98 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 18.0 mp0 -72.21 131.01 42.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.487 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 7.1 p90 -151.42 168.72 23.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.716 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 7.6 pt-20 -144.14 -177.3 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.692 HG21 ' HG3' ' A' ' 25' ' ' LYS . 2.3 p -148.64 142.0 25.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.683 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 74.2 t80 -123.84 167.24 14.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -105.99 112.77 25.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.74 -26.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -60.44 -71.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.74 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.16 89.96 1.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.17 -57.78 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 61' ' ' GLY . 4.5 mt-10 -39.07 -54.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.689 HG13 HD12 ' A' ' 8' ' ' LEU . 69.6 t -54.84 -50.32 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -28.33 61.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -91.1 -17.8 25.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . -97.24 -16.28 35.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.632 ' HA ' HD21 ' A' ' 8' ' ' LEU . 5.5 mt -83.92 -25.99 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 69' ' ' PRO . 3.0 pttt -79.33 -36.42 39.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 m -79.68 -11.93 59.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -73.84 -44.92 54.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.706 ' CB ' HD22 ' A' ' 80' ' ' LEU . 26.0 m -122.33 15.56 10.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 48.26 34.53 4.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.48 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 5.1 t-105 -128.14 84.31 63.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.992 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.07 -4.29 15.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.48 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 29.6 m -78.73 128.46 33.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.494 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.7 m-85 -122.09 163.55 31.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.586 ' HG2' HD12 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.93 172.95 60.34 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.042 -0.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.409 ' NE2' ' HB3' ' A' ' 68' ' ' TRP . 4.8 mt-30 -127.06 145.96 50.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.719 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -106.44 126.58 52.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.719 ' N ' HD13 ' A' ' 74' ' ' LEU . 25.3 m-85 -123.82 133.21 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.706 HD22 ' CB ' ' A' ' 66' ' ' SER . 4.8 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.416 ' CG2' HD12 ' A' ' 74' ' ' LEU . 94.5 t -59.43 -66.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.408 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 151.35 -173.8 30.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.446 1.091 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.29 -174.58 35.16 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 84' ' ' LEU . 1.2 tm? -54.21 -48.13 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.79 -35.63 23.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.605 HG23 HD11 ' A' ' 90' ' ' LEU . 1.1 mp -77.56 -62.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.433 HG11 HD21 ' A' ' 40' ' ' LEU . 84.7 t -41.94 -54.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.5 -58.95 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.1 tp10 -44.89 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.605 HD11 HG23 ' A' ' 86' ' ' ILE . 1.2 mt -40.96 -54.66 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.832 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.76 -42.22 71.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' GLU . 16.0 t0 -60.22 -45.48 93.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.42 -35.31 73.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.04 24.21 7.75 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.23 53.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.803 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.3 tp -131.95 -45.4 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.29 -46.26 94.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -14.95 21.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.547 1.814 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.22 -40.57 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -72.13 -51.16 22.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.732 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.673 ' CD1' HG13 ' A' ' 58' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -42.36 -44.41 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 11' ' ' LEU . 13.0 p -63.67 -49.91 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.876 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.2 mt -51.24 -68.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.545 HG22 HD21 ' A' ' 62' ' ' LEU . 59.2 p -43.47 -29.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.423 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' VAL . 48.3 m-20 -117.19 50.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.604 ' HD3' HD23 ' A' ' 11' ' ' LEU . 19.0 ttpt -92.62 -58.51 2.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 48' ' ' GLU . . . -105.39 168.81 8.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -50.07 -48.06 53.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.47 HG12 ' HB2' ' A' ' 47' ' ' TYR . 41.7 t -125.02 117.5 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -99.21 135.59 40.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 36' ' ' ILE . 1.3 tm? -135.52 115.25 12.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 91.8 m-85 -109.1 125.73 52.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.541 ' HE3' ' HB3' ' A' ' 33' ' ' SER . 4.4 ptm -149.61 175.57 11.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -97.14 117.79 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 27' ' ' GLU . . . 111.82 -23.05 17.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.425 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.7 OUTLIER 63.16 173.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' ASN . 3.8 mtmt -40.64 -29.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' N ' ' C ' ' A' ' 24' ' ' ASN . 23.0 mt-30 -60.32 -75.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HB2' ' CA ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -72.72 147.0 46.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.541 ' HB3' ' HE3' ' A' ' 21' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.882 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 5.3 tptm -62.71 -47.41 83.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' GLU . 2.7 mm-40 -42.46 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.936 HD13 HD21 ' A' ' 19' ' ' LEU . 3.5 tt -41.11 -40.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.496 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 1.5 mt -61.34 -49.54 76.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' GLN . 2.2 mt-10 -59.79 -39.81 86.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.909 HG23 ' HE2' ' A' ' 91' ' ' LYS . 21.8 mt -70.31 -49.2 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.613 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -52.8 -21.98 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.42 -44.98 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -42.87 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.514 HG21 HD23 ' A' ' 100' ' ' LEU . 2.2 p -44.69 -40.03 5.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.48 -3.64 63.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.83 HG12 ' HE3' ' A' ' 101' ' ' LYS . 19.1 m -83.92 -172.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.83 131.04 56.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 6.7 p90 -138.85 168.11 20.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . 6.3 mm-40 -136.01 159.52 41.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 5.7 p -119.91 166.59 13.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.876 ' CE1' HD11 ' A' ' 11' ' ' LEU . 84.1 t80 -144.63 167.47 22.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.426 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 1.4 p-10 -100.88 117.63 35.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.721 HD13 ' CE2' ' A' ' 71' ' ' TYR . 1.2 pt -94.7 -31.8 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -57.52 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.76 -66.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.16 73.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.41 -48.61 80.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -44.94 -42.16 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.673 HG13 ' CD1' ' A' ' 8' ' ' LEU . 67.2 t -66.77 -47.78 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -69.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 61' ' ' GLY . 1.2 pp0? -52.36 -50.66 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' OE1' ' A' ' 60' ' ' GLN . . . -59.5 -14.67 28.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.545 HD21 HG22 ' A' ' 12' ' ' THR . 5.1 mt -92.02 -67.79 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.454 ' O ' ' CA ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -44.14 -38.46 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -74.19 -37.07 64.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CD2' HD23 ' A' ' 8' ' ' LEU . 15.7 t80 -43.1 -45.57 5.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.686 ' HB3' HD22 ' A' ' 80' ' ' LEU . 21.3 m -122.36 7.24 9.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' CA ' ' O ' ' A' ' 63' ' ' LYS . 6.5 t30 54.42 37.34 27.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.51 ' C ' ' H ' ' A' ' 70' ' ' THR . 29.3 t-105 -126.63 79.56 71.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.043 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 30.41 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.51 ' H ' ' C ' ' A' ' 68' ' ' TRP . 1.8 m -114.05 93.65 4.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CE2' HD13 ' A' ' 52' ' ' ILE . 14.8 m-85 -81.32 162.24 59.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.96 -175.28 15.68 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.998 -0.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -136.88 126.92 26.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -110.01 130.02 55.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.982 ' N ' HD12 ' A' ' 74' ' ' LEU . 49.1 m-85 -128.57 132.37 48.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 66' ' ' SER . 12.0 tp . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.2 t -41.16 -73.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.467 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 150.69 178.68 25.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.5 -164.37 1.21 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.449 ' C ' HD13 ' A' ' 84' ' ' LEU . 1.7 tm? -62.11 -57.31 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.403 ' N ' HD13 ' A' ' 84' ' ' LEU . 2.7 m-20 -40.94 -41.34 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -68.0 -68.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.655 HG22 HD23 ' A' ' 74' ' ' LEU . 72.9 t -44.31 -53.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -52.78 -56.94 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ASP . 18.2 tt0 -45.18 -68.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.618 ' HB2' HD13 ' A' ' 96' ' ' LEU . 1.4 mt -44.67 -53.35 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.909 ' HE2' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -53.72 -35.89 61.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 89' ' ' GLU . 17.6 t70 -67.46 -52.82 34.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -61.46 -43.28 99.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.85 29.86 3.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.13 52.83 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 90' ' ' LEU . 7.0 tp -131.81 -48.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.0 tm? -53.42 -46.04 98.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.97 -13.36 21.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.9 mm -89.02 -43.86 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.578 ' N ' HD13 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -69.8 -49.23 54.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.83 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.8 mmpt? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.777 ' CD1' HG13 ' A' ' 58' ' ' VAL . 1.7 tp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -47.33 10.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 33.0 t -60.98 -37.53 77.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.968 HD11 ' CE1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -61.93 -53.91 49.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 12' ' ' THR . 19.9 p -68.65 -11.57 60.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -117.57 17.28 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' VAL . 2.4 ttmt -73.02 -61.36 1.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.471 ' HB2' ' HG3' ' A' ' 48' ' ' GLU . . . -112.38 148.06 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.77 -48.92 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.962 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 t -113.62 107.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.44 124.74 39.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.887 HD11 HG21 ' A' ' 36' ' ' ILE . 1.8 tm? -118.27 106.01 12.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 42.1 m-85 -101.07 108.04 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.861 ' CE ' ' HB2' ' A' ' 28' ' ' ALA . 3.1 ptt? -136.4 178.68 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.708 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -104.75 107.81 18.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.78 -29.83 2.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.25 156.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HG3' HG21 ' A' ' 49' ' ' THR . 12.7 mtmt -40.1 -37.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -39.94 -41.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 169.49 165.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.861 ' HB2' ' CE ' ' A' ' 21' ' ' MET . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.456 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 5.5 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.691 ' HD2' ' HB3' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -66.09 -48.26 71.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -46.55 -65.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.887 HG21 HD11 ' A' ' 19' ' ' LEU . 1.3 tt -41.96 -44.11 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD12 ' SD ' ' A' ' 21' ' ' MET . 1.5 mt -65.27 -48.45 73.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.98 -34.48 63.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.664 HG23 ' CE ' ' A' ' 91' ' ' LYS . 44.1 mt -80.47 -50.26 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.646 HD11 HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -50.05 -23.49 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -28.29 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -74.01 -3.04 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.957 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.446 ' C ' ' H ' ' A' ' 45' ' ' VAL . 39.4 p -134.4 84.52 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 45' ' ' VAL . . . -73.14 10.35 5.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 46' ' ' GLU . 2.3 m -55.71 -165.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' N ' HG23 ' A' ' 45' ' ' VAL . 3.6 mt-10 -78.86 109.97 13.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -151.03 178.44 9.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 2.2 mt-10 -162.05 175.84 11.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.532 HG21 ' HG3' ' A' ' 25' ' ' LYS . 2.9 p -136.72 138.87 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.968 ' CE1' HD11 ' A' ' 11' ' ' LEU . 83.6 t80 -121.11 165.58 15.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -109.94 115.44 29.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -87.95 -15.73 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -74.22 -65.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -45.77 -70.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -78.3 87.29 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.26 -35.72 81.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.55 -55.25 36.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 8' ' ' LEU . 78.9 t -54.12 -46.01 66.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -53.95 -70.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -54.32 -35.52 62.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.438 ' C ' HD21 ' A' ' 8' ' ' LEU . . . -73.8 -12.7 80.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' PHE . 5.0 mt -92.55 -62.52 1.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -44.81 -36.4 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.8 m -75.6 -37.35 59.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.693 ' CD2' HD23 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -53.99 -37.29 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' ASN . 3.5 m -122.39 13.68 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.039 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' LYS . 44.0 t30 39.9 39.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.463 ' CE2' ' HB ' ' A' ' 70' ' ' THR . 24.0 t-105 -130.71 77.64 75.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.55 7.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.804 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.463 ' HB ' ' CE2' ' A' ' 68' ' ' TRP . 23.4 m -76.35 89.23 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.514 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 26.1 m-85 -86.99 157.17 54.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.817 ' HG2' HD12 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.07 167.23 81.07 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.982 0.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.713 ' HG3' HD13 ' A' ' 80' ' ' LEU . 8.3 tt0 -133.56 116.95 16.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.76 HD11 HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -94.13 149.81 20.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.565 ' H ' HD12 ' A' ' 74' ' ' LEU . 9.5 m-85 -132.85 126.8 33.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.76 HG23 HD11 ' A' ' 74' ' ' LEU . 26.5 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.713 HD13 ' HG3' ' A' ' 73' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.0 t -72.8 -63.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.549 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.55 -169.27 34.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.469 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -96.52 -162.45 32.69 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD2' HD12 ' A' ' 39' ' ' ILE . 1.7 tm? -56.65 -56.03 26.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -36.46 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.605 HG22 ' N ' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -72.93 -70.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.605 ' N ' HG22 ' A' ' 86' ' ' ILE . 73.3 t -40.31 -58.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -53.17 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -48.33 -69.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.57 HD22 ' H ' ' A' ' 90' ' ' LEU . 2.6 mm? -42.17 -57.03 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.664 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -50.11 -45.89 53.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -65.09 -64.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -44.05 -43.56 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.95 40.73 1.94 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -141.82 50.4 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.784 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.516 ' HG ' HD22 ' A' ' 100' ' ' LEU . 7.5 tp -117.51 -43.15 2.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.48 -45.61 98.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.06 -36.55 2.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.37 -37.37 79.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.516 HD22 ' HG ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -76.84 -60.94 2.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.427 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 p -65.35 98.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 110.003 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 p -55.15 114.06 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.61 134.21 3.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t 60.91 86.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -110.84 95.54 5.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.83 65.66 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.783 HD21 HG13 ' A' ' 58' ' ' VAL . 10.7 mt -92.53 -59.96 1.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.63 -48.99 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 11' ' ' LEU . 8.4 p -53.21 -48.48 54.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.975 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 1.6 mt -54.2 -55.43 28.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.8 p -63.95 -16.79 62.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -115.18 25.93 10.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 10' ' ' VAL . 13.1 ttpt -78.69 -57.2 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.59 152.81 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 m -40.64 -52.91 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 91.4 t -118.32 112.87 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -99.02 141.03 32.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 36' ' ' ILE . 1.5 tm? -139.81 104.96 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.603 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 44.6 m-85 -95.26 127.2 41.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.9 ptm -161.54 169.63 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.925 ' HB2' HD11 ' A' ' 53' ' ' LEU . 1.5 ptmm? -86.55 113.44 22.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.84 -31.88 6.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.498 HD21 ' N ' ' A' ' 51' ' ' ASP . 1.5 m-20 56.0 171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG2' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -38.99 -30.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 24' ' ' ASN . 46.4 mm-40 -55.33 -63.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -114.19 145.54 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . -158.28 121.25 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.2 -42.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 108.291 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' SER . . . -124.75 168.25 16.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.423 1.077 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.71 -65.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.658 ' O ' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.82 -54.25 7.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.628 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 25.9 tttt -69.7 -32.83 71.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.2 mm100 -48.18 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.003 HD13 HD21 ' A' ' 19' ' ' LEU . 10.1 tt -39.36 -49.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.658 HD13 ' O ' ' A' ' 33' ' ' SER . 6.7 mp -51.67 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -38.69 -38.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.926 HG23 ' HE3' ' A' ' 91' ' ' LYS . 28.6 mt -73.47 -50.55 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 19' ' ' LEU . 1.1 mt -55.93 -24.59 38.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -93.1 -50.45 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.5 m -44.04 -32.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 39' ' ' ILE . 2.6 p -55.88 -47.14 77.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.11 -8.55 42.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.622 HG12 ' HE3' ' A' ' 101' ' ' LYS . 16.7 m -75.6 -171.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -107.31 134.52 50.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.467 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 15.3 p90 -150.95 174.68 12.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -147.91 173.08 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.2 p -127.37 164.52 21.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.975 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 74.8 t80 -146.27 162.73 37.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.498 ' N ' HD21 ' A' ' 24' ' ' ASN . 1.3 p30 -96.33 129.19 43.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.41 -18.83 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.925 HD11 ' HB2' ' A' ' 22' ' ' LYS . 4.5 mt -82.52 -63.73 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.36 -44.79 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.09 80.12 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.1 -52.86 57.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -40.74 -47.53 2.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.783 HG13 HD21 ' A' ' 8' ' ' LEU . 87.5 t -63.99 -45.44 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -40.21 -66.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -74.12 -30.97 62.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.509 ' C ' HD11 ' A' ' 8' ' ' LEU . . . -60.33 -28.63 67.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.604 ' HG ' HD22 ' A' ' 8' ' ' LEU . 6.8 mt -86.03 -59.0 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.93 -39.09 39.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 m -71.03 -23.62 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.1 t80 -88.94 -50.12 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.623 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -77.55 -30.21 52.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER 74.22 33.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.439 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 18.2 t-105 -147.64 83.36 7.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 107.997 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.43 8.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 70' ' ' THR . 3.1 m -84.45 62.6 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.386 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.486 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.7 m-85 -52.45 165.04 0.56 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.02 -174.64 14.5 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.957 0.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 18.6 mt-30 -141.51 137.66 32.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.823 HD23 HG22 ' A' ' 87' ' ' VAL . 3.3 tp -114.16 133.53 55.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.644 ' N ' HD12 ' A' ' 74' ' ' LEU . 72.4 m-85 -118.88 127.45 53.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.446 HG11 ' O ' ' A' ' 99' ' ' ILE . 94.2 t -135.46 142.94 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 67.05 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -174.05 -38.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -82.32 147.55 28.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.623 HD22 ' OG ' ' A' ' 66' ' ' SER . 5.5 tp -62.35 130.11 43.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG21 ' CG2' ' A' ' 76' ' ' VAL . 71.2 t -79.05 -61.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.643 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.19 -166.01 33.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 86' ' ' ILE . . . -101.73 -179.09 28.13 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 84' ' ' LEU . 3.0 tm? -41.78 -59.83 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -43.1 -42.5 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.643 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -73.44 -63.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.823 HG22 HD23 ' A' ' 74' ' ' LEU . 89.8 t -41.93 -62.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.61 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -46.01 -45.46 15.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -46.48 -61.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.5 HD22 ' H ' ' A' ' 90' ' ' LEU . 3.3 mm? -52.12 -62.44 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.926 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -43.2 -58.92 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.85 -56.35 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -54.55 -41.57 69.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.82 39.69 2.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -141.3 49.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.478 ' CD2' HD21 ' A' ' 100' ' ' LEU . 6.0 tp -119.71 -40.21 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.627 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tm? -53.76 -45.31 98.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.98 -16.47 20.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.446 ' O ' HG11 ' A' ' 76' ' ' VAL . 17.3 mm -87.38 -35.25 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.478 HD21 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -76.18 -54.87 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.622 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.6 mmpt? -40.89 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.31 80.59 1.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.6 141.39 58.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.238 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.48 145.91 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.12 162.48 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.21 39.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.3 t -104.35 -58.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.3 p -95.73 -58.46 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.89 97.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -152.02 105.05 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.6 -175.6 15.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -169.39 -57.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -102.68 91.13 4.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' CA ' ' CG1' ' A' ' 10' ' ' VAL . . . -75.01 78.56 1.06 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -90.47 -65.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -47.64 -36.2 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.445 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 2.7 p -69.91 -37.53 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.974 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.4 mt -61.77 -40.1 93.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 9' ' ' LYS . 78.9 p -71.18 -32.97 69.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.544 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 24.5 p30 -101.46 19.71 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -64.32 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.62 164.6 13.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -63.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' CG1' HD13 ' A' ' 40' ' ' LEU . 56.8 t -108.96 111.29 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.523 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.82 138.15 32.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.945 HD21 HD13 ' A' ' 36' ' ' ILE . 1.9 tm? -139.16 104.66 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 62' ' ' LEU . 84.5 m-85 -94.21 124.93 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 3.9 ptm -159.86 173.44 15.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.961 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -91.48 116.51 28.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.59 -28.02 7.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.44 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 56.68 164.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.24 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -40.61 -29.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.44 ' N ' ' C ' ' A' ' 24' ' ' ASN . 73.4 mm-40 -55.29 -63.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.03 140.3 49.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.708 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . -125.08 -176.12 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -113.89 -35.74 5.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 1.5 t 87.29 82.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.53 -48.77 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -134.54 -49.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.471 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 14.2 m -61.33 -42.73 99.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.708 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 8.2 tttp -84.0 -41.08 17.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -71.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.945 HD13 HD21 ' A' ' 19' ' ' LEU . 7.7 tt -42.09 -44.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD21 ' CG2' ' A' ' 49' ' ' THR . 6.1 mt -59.93 -57.72 11.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.5 -37.38 17.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.713 HG23 ' CE ' ' A' ' 91' ' ' LYS . 10.2 mt -75.73 -48.73 28.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.648 HD11 HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -54.12 -25.1 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.53 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 3.3 m-20 -86.82 -35.78 18.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.7 -44.71 58.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.632 HG21 HD23 ' A' ' 100' ' ' LEU . 9.2 p -50.43 -30.8 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.1 -2.99 67.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.757 HG12 ' HE3' ' A' ' 101' ' ' LYS . 22.4 m -75.27 -172.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.9 126.65 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.543 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 25.2 p90 -143.6 177.44 8.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -158.61 -178.25 7.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.475 ' CG2' HD21 ' A' ' 37' ' ' LEU . 34.2 p -137.28 166.13 24.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.974 ' CE1' HD11 ' A' ' 11' ' ' LEU . 82.4 t80 -148.08 163.52 36.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.524 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -94.87 124.48 38.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.805 HD13 ' CE2' ' A' ' 71' ' ' TYR . 1.1 pp -101.01 -10.79 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' A' ' 22' ' ' LYS . 5.1 mt -90.26 -68.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -38.69 -40.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 95.89 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.37 -49.7 46.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -43.54 -54.45 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 78.9 t -56.0 -42.87 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.4 ttt-85 -59.25 -56.34 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -67.02 -12.12 58.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.31 -45.22 4.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 20' ' ' PHE . 17.3 mt -67.04 -56.08 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.97 -36.73 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.3 m -77.43 -56.86 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -37.61 -47.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.773 ' OG ' HD22 ' A' ' 80' ' ' LEU . 1.3 t -95.7 -29.34 14.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 66' ' ' SER . 49.1 t30 79.48 36.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.357 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.464 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 1.8 t-105 -147.34 92.33 4.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.61 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.464 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 3.0 m -40.77 98.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.805 ' CE2' HD13 ' A' ' 52' ' ' ILE . 13.6 m-85 -85.84 162.87 45.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -75.0 -173.35 12.17 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.06 -2.475 . . . . 0.0 111.02 0.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 0.5 OUTLIER -145.06 126.31 14.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.675 HD23 HG22 ' A' ' 87' ' ' VAL . 1.6 tp -103.43 138.08 40.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.594 ' N ' HD12 ' A' ' 74' ' ' LEU . 42.4 m-85 -128.22 132.1 48.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.513 HG21 ' HA ' ' A' ' 100' ' ' LEU . 2.3 p -126.75 154.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -37.2 -49.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.93 -106.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.25 159.04 37.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.773 HD22 ' OG ' ' A' ' 66' ' ' SER . 0.7 OUTLIER -47.92 127.33 11.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.01 -63.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.547 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 153.07 -163.4 30.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.71 172.06 43.94 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.567 HD23 ' CB ' ' A' ' 36' ' ' ILE . 1.4 tm? -44.49 -53.08 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -48.62 -47.66 39.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.547 HG21 ' HA3' ' A' ' 82' ' ' GLY . 6.1 mt -65.76 -58.64 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.675 HG22 HD23 ' A' ' 74' ' ' LEU . 83.0 t -45.3 -60.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.33 -45.89 46.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -46.76 -64.37 0.79 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.9 mm? -51.16 -63.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.713 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -42.75 -47.86 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -54.87 -54.98 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.81 -35.64 77.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.63 43.02 2.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -142.95 52.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.493 ' CD2' HD21 ' A' ' 100' ' ' LEU . 5.8 tp -124.39 -42.67 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tm? -54.39 -45.16 99.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.06 -17.53 19.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.6 mm -87.7 -32.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.632 HD23 HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -77.46 -55.09 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.757 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -40.93 -86.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.06 -90.59 0.27 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -118.85 -40.06 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 178.82 78.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 66.2 85.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 124.78 8.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.61 127.53 44.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.54 106.88 8.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 t 61.2 107.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.08 143.3 44.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.66 -72.15 0.39 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -93.74 144.61 25.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -83.86 76.72 10.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . 47.15 93.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.79 HD23 ' HD2' ' A' ' 65' ' ' PHE . 1.6 tp -90.4 -53.86 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -32.74 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 3.1 p -74.94 -38.62 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.081 HD11 ' CE1' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -60.59 -39.42 88.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -76.88 0.39 21.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -138.5 25.23 2.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -61.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.68 169.75 8.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.45 -49.03 71.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 66.5 t -122.79 113.09 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.524 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -93.34 142.13 27.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 36' ' ' ILE . 1.7 tm? -143.39 106.16 4.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 80.7 m-85 -97.98 118.09 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -145.32 178.73 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.66 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -114.99 116.27 28.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.25 -13.46 4.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.18 160.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.804 ' HG3' HG21 ' A' ' 49' ' ' THR . 0.6 OUTLIER -60.81 -33.96 73.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -41.02 -47.39 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -163.48 114.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.48 169.85 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 -45.07 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -106.83 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 108.307 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.47 -58.13 4.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -47.16 -48.77 23.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.9 p -49.66 -40.41 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -79.78 -55.45 4.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -44.64 -69.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.007 HD13 HD21 ' A' ' 19' ' ' LEU . 4.6 tt -41.36 -42.89 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.19 -50.33 70.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -39.24 62.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.537 HG23 ' HD3' ' A' ' 91' ' ' LYS . 30.1 mt -77.93 -48.57 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -50.23 -27.5 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.423 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 9.4 m-20 -85.56 -48.04 9.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.38 -51.59 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.707 HG21 ' CD2' ' A' ' 100' ' ' LEU . 15.5 p -39.58 -39.26 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.77 -13.9 61.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.783 HG12 ' HE3' ' A' ' 101' ' ' LYS . 17.4 m -66.28 -171.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.07 131.36 51.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.437 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 16.6 p90 -145.0 177.22 8.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -147.02 179.77 7.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.804 HG21 ' HG3' ' A' ' 25' ' ' LYS . 1.9 p -140.83 142.22 34.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.445 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 1.081 ' CE1' HD11 ' A' ' 11' ' ' LEU . 58.7 t80 -130.0 130.29 44.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -70.97 131.91 44.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.67 -8.96 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.66 HD11 ' HB2' ' A' ' 22' ' ' LYS . 14.1 mt -82.69 -67.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.5 -55.33 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.11 113.96 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -88.09 -46.19 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -47.08 -43.2 19.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.666 HG11 ' CE2' ' A' ' 50' ' ' PHE . 85.4 t -71.93 -32.69 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -61.14 -70.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 17.5 pt20 -57.75 -48.39 79.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' A' ' 60' ' ' GLN . . . -52.4 -24.9 18.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.593 ' HA ' HD21 ' A' ' 8' ' ' LEU . 6.4 mt -79.96 -69.53 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -33.48 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -74.24 -29.21 61.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.79 ' HD2' HD23 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -89.32 -61.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.608 ' OG ' HD12 ' A' ' 80' ' ' LEU . 2.3 t -62.06 -29.57 70.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 73.51 33.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.548 ' CG ' ' OE1' ' A' ' 73' ' ' GLN . 6.9 t-105 -147.96 89.92 5.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 p -49.37 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.487 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.6 m-85 -95.76 165.34 16.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.5 Cg_endo -74.98 -173.97 13.27 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.005 -0.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.868 ' OE1' HD11 ' A' ' 80' ' ' LEU . 3.5 mt-30 -138.37 137.98 37.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.766 HD13 ' N ' ' A' ' 75' ' ' TYR . 1.5 tm? -101.31 131.98 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.766 ' N ' HD13 ' A' ' 74' ' ' LEU . 28.9 m-85 -127.33 132.26 50.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.414 HG12 HG23 ' A' ' 81' ' ' VAL . 8.4 p -137.05 159.97 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -38.18 -39.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.18 -122.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -116.11 161.04 19.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.868 HD11 ' OE1' ' A' ' 73' ' ' GLN . 4.9 tt -47.31 103.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.576 ' CG2' HD12 ' A' ' 74' ' ' LEU . 57.5 t -53.87 -57.9 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.466 ' N ' HD23 ' A' ' 80' ' ' LEU . . . 147.37 -177.49 25.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.79 -157.16 4.6 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.691 ' C ' HD13 ' A' ' 84' ' ' LEU . 1.2 tm? -69.9 -50.37 42.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.418 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -46.7 -35.24 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.548 HG23 HD11 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -77.56 -63.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' A' ' 90' ' ' LEU . 40.1 t -44.28 -59.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.69 -57.43 3.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -46.45 -66.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.56 ' HB2' HD13 ' A' ' 96' ' ' LEU . 1.4 mt -42.04 -55.7 3.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.537 ' HD3' HG23 ' A' ' 39' ' ' ILE . 39.5 tptt -51.21 -50.02 59.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -49.69 46.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.34 -47.73 82.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.06 33.17 2.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -135.11 58.17 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 90' ' ' LEU . 6.2 tp -120.67 -42.96 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tm? -53.92 -45.8 98.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.98 -17.18 19.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.424 ' HA ' HD13 ' A' ' 99' ' ' ILE . 34.5 mm -86.71 -36.65 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.707 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -74.41 -54.3 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.783 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -40.17 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -170.11 -81.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -136.86 78.38 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 98' ' ' PRO . 25.2 m 44.71 87.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.83 -153.63 4.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.64 36.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.9 p -175.59 127.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.39 122.87 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.64 90.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.982 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -117.02 157.59 25.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.21 -112.98 4.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -140.27 92.71 2.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.788 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 p -147.46 114.65 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.04 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.26 79.15 0.26 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.942 HD11 HG13 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -59.37 -62.54 1.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -43.61 -48.94 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' LYS . 71.0 t -62.06 -38.5 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.916 HD11 ' CE1' ' A' ' 50' ' ' PHE . 5.5 mt -63.49 -58.17 7.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.0 p -61.75 -19.24 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 9' ' ' LYS . 77.8 m-20 -117.72 27.77 8.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.99 -62.75 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.62 153.63 24.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -43.89 -42.18 5.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -121.97 112.3 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.534 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -100.72 134.68 43.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.867 HD21 HD13 ' A' ' 36' ' ' ILE . 1.7 tm? -133.23 104.49 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 62' ' ' LEU . 89.8 m-85 -94.45 107.29 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.575 ' HE1' ' HA ' ' A' ' 28' ' ' ALA . 9.8 ptm -129.55 170.61 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.693 ' HB2' HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -96.07 116.52 29.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.27 48.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m120 61.57 -175.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.594 ' CD ' HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -50.18 -43.93 52.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -46.26 -26.89 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -121.29 -165.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . 179.6 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER 81.83 -49.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 2.0 t 93.94 99.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.78 -40.96 0.46 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -155.6 -48.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.756 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -32.52 28.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.048 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.644 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 11.3 tptt -81.86 -50.35 9.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -49.84 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.867 HD13 HD21 ' A' ' 19' ' ' LEU . 3.9 tt -41.12 -43.06 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD11 ' HG3' ' A' ' 25' ' ' LYS . 1.4 mt -63.32 -55.78 21.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' SER . 3.8 mm-40 -44.1 -46.9 8.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.749 HG23 ' HE3' ' A' ' 91' ' ' LYS . 6.5 mt -70.47 -49.07 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.624 HD11 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.28 -27.46 35.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 t30 -93.69 -34.47 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.436 ' HB3' ' CE ' ' A' ' 91' ' ' LYS . 9.9 t -56.77 -26.4 57.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 p -63.19 -45.0 93.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.58 -1.31 63.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.86 HG12 ' HE3' ' A' ' 101' ' ' LYS . 11.1 m -81.78 -168.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.85 132.22 51.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -149.93 167.8 25.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -141.7 175.12 9.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.594 HG21 ' CD ' ' A' ' 25' ' ' LYS . 73.2 p -135.04 162.07 33.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.916 ' CE1' HD11 ' A' ' 11' ' ' LEU . 73.7 t80 -136.4 167.47 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -97.32 117.07 30.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -99.39 -10.33 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 22' ' ' LYS . 28.0 mt -89.3 -68.86 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.13 -62.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.36 107.47 15.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.01 -50.92 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -43.83 -43.3 6.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.942 HG13 HD11 ' A' ' 8' ' ' LEU . 58.2 t -75.95 -46.35 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' VAL . 44.5 ttp180 -38.35 -69.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' LYS . 3.0 pt20 -70.36 -36.04 73.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.32 -11.29 32.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HA ' HD21 ' A' ' 8' ' ' LEU . 2.4 mt -90.44 -41.6 11.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 1.6 ptpt -57.82 -31.06 66.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 18.3 m -82.14 -11.52 58.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.621 ' CD2' HD23 ' A' ' 8' ' ' LEU . 28.9 t80 -63.73 -59.24 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 m -122.44 20.6 10.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 17.5 t-20 55.96 42.86 28.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.514 ' CD1' ' O ' ' A' ' 70' ' ' THR . 69.8 t-105 -127.15 82.48 68.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.457 ' HA ' ' CB ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -74.91 0.83 8.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 21.7 m -89.57 143.73 26.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 23.9 m-85 -144.85 152.6 52.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.99 168.34 77.74 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.006 -0.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' CB ' ' CD1' ' A' ' 68' ' ' TRP . 1.3 pt20 -125.39 -179.11 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.686 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -135.14 134.13 39.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.686 ' N ' HD13 ' A' ' 74' ' ' LEU . 14.1 m-85 -123.61 128.32 49.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.564 HG23 HD12 ' A' ' 74' ' ' LEU . 74.4 t -136.8 132.71 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 54.41 29.25 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.78 -42.34 3.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -72.19 136.93 46.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.79 142.53 57.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 76' ' ' VAL . 30.0 t -96.62 -55.96 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.533 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 159.72 -160.38 31.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.49 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -102.92 -156.65 25.24 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.76 -61.08 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -42.24 -40.79 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.533 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -73.32 -67.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.593 HG11 HD21 ' A' ' 40' ' ' LEU . 79.0 t -41.19 -55.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -45.77 62.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -49.95 -69.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.628 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.0 mm? -42.86 -54.83 3.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.749 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -53.71 -45.35 70.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.42 -61.13 2.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -49.9 -39.83 41.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.21 45.0 1.78 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -145.76 49.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.628 HD13 ' HB2' ' A' ' 90' ' ' LEU . 4.2 tp -120.16 -41.93 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.624 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tm? -55.86 -45.64 99.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -75.01 -29.71 7.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 99' ' ' ILE . 13.0 mm -74.78 -33.47 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.499 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -76.23 -61.02 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.86 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.7 mmpt? -40.03 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.06 -75.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -124.38 -47.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.794 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.4 t 68.03 107.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.53 -158.64 7.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 151.66 39.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 t -171.15 80.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.15 84.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.949 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.47 133.84 29.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.02 -52.97 5.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.93 146.82 8.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.4 -54.69 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.76 89.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.964 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -78.46 108.45 2.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.775 HD21 ' HA ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -92.79 -65.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.78 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -49.14 -46.94 45.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.467 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 7.3 p -57.29 -45.24 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.713 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 2.4 mt -50.8 -58.28 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.0 p -58.55 -16.07 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -116.63 21.13 13.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -72.49 -58.46 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.42 161.98 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -50.08 -48.13 53.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.2 t -121.51 109.11 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.569 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.08 132.82 39.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.931 HD23 HD11 ' A' ' 40' ' ' LEU . 1.2 tm? -131.98 104.75 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 96.4 m-85 -92.82 118.9 31.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.756 ' SD ' HD11 ' A' ' 37' ' ' LEU . 28.2 ptm -145.29 178.41 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.517 ' HA ' HD21 ' A' ' 53' ' ' LEU . 8.0 tmtt? -98.44 111.24 23.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.79 -18.35 26.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.3 m120 61.41 170.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -39.78 -30.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASN . 44.3 mm-40 -51.19 -50.1 59.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.73 147.96 31.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HA ' ' HE1' ' A' ' 21' ' ' MET . . . -109.69 -172.78 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -81.87 -67.69 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 t -175.09 -61.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -152.83 56.26 0.43 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -159.95 -48.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.678 ' O ' HD13 ' A' ' 37' ' ' LEU . 1.4 m -83.83 -22.29 31.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -79.98 -39.73 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -46.55 -63.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.851 HD13 HD21 ' A' ' 19' ' ' LEU . 6.9 tt -42.64 -52.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.756 HD11 ' SD ' ' A' ' 21' ' ' MET . 7.1 mp -49.56 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.26 -37.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.457 HD12 ' CD2' ' A' ' 84' ' ' LEU . 37.8 mt -76.62 -54.71 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.931 HD11 HD23 ' A' ' 19' ' ' LEU . 1.1 mt -54.41 -28.57 44.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.167 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -81.26 -37.82 27.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -44.89 39.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.732 HG21 HD23 ' A' ' 100' ' ' LEU . 31.8 p -56.24 -23.24 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.06 19.82 32.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.647 HG12 ' HE3' ' A' ' 101' ' ' LYS . 21.0 m -94.28 175.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -66.66 126.79 30.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.558 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 10.8 p90 -151.1 -179.78 7.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.88 177.02 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.536 HG21 ' HG3' ' A' ' 25' ' ' LYS . 2.5 p -134.09 153.4 51.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.713 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 59.6 t80 -133.91 162.43 32.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' N ' HD21 ' A' ' 24' ' ' ASN . 2.6 p30 -102.13 126.39 49.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -99.14 -12.12 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.608 HD22 ' H ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -77.24 -70.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -41.05 -90.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.91 94.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.0 -52.32 20.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -44.33 -52.21 7.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.502 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 92.7 t -58.01 -38.23 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -59.8 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -68.95 -28.42 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.445 ' N ' ' HG3' ' A' ' 60' ' ' GLN . . . -72.15 -33.92 61.77 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.775 ' HA ' HD21 ' A' ' 8' ' ' LEU . 6.3 mt -73.38 -62.82 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.69 -44.08 13.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -67.25 -38.43 85.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 5.5 t80 -43.07 -55.03 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.0 m -118.5 23.5 11.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LYS . 14.3 t-20 40.42 35.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.442 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 2.3 t-105 -128.12 88.08 53.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.79 2.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.442 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 8.2 m -38.63 118.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.492 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.6 m-85 -117.56 162.5 28.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -74.98 -176.04 17.26 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.019 -0.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.409 ' OE1' ' CD1' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -143.7 133.48 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.795 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.3 tp -98.18 127.08 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.795 ' N ' HD12 ' A' ' 74' ' ' LEU . 38.5 m-85 -120.7 129.01 53.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 78' ' ' GLY . 68.0 t -120.25 148.0 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -39.09 -30.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -71.9 -102.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -128.35 159.01 36.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp -56.6 111.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.74 -66.69 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.554 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 153.98 -156.68 26.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.87 -175.36 44.13 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.573 ' C ' HD13 ' A' ' 84' ' ' LEU . 1.8 tm? -50.94 -54.93 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -47.4 -45.48 25.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.554 HG21 ' HA3' ' A' ' 82' ' ' GLY . 0.8 OUTLIER -66.17 -63.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.619 HG22 HD23 ' A' ' 74' ' ' LEU . 75.7 t -40.47 -57.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -51.78 53.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -42.75 -47.85 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.599 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.7 mm? -66.67 -46.61 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HB2' HD22 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -55.79 -57.41 12.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -48.67 -53.09 20.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -58.67 -52.93 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.52 35.2 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.5 51.69 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.599 HD13 ' HB2' ' A' ' 90' ' ' LEU . 6.0 tp -124.95 -49.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.9 -46.35 97.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.04 -13.73 21.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.4 mm -89.76 -43.23 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -69.99 -48.67 57.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.647 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -45.61 -73.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . 150.94 73.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 102' ' ' GLY . 62.3 mt-10 35.05 84.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.73 164.43 8.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.58 -145.32 17.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.62 17.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 152.44 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.987 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 63.3 p -136.04 106.03 6.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.93 104.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.77 164.5 22.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.55 -128.86 1.83 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.26 111.53 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.32 162.22 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.82 61.22 0.4 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.899 ' CD2' HG13 ' A' ' 58' ' ' VAL . 16.0 mt -91.49 -64.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.3 ptpt -45.22 -50.96 11.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.6 p -52.18 -46.61 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.945 HD11 ' CE1' ' A' ' 50' ' ' PHE . 2.4 mt -58.69 -57.85 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -61.66 -19.54 62.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LYS . 77.5 m-20 -117.01 30.43 7.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -78.42 -63.55 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.31 157.09 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -40.25 -53.96 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.516 HG13 HD13 ' A' ' 74' ' ' LEU . 90.6 t -119.72 113.58 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.553 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -97.28 140.12 32.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.987 HD21 HD13 ' A' ' 36' ' ' ILE . 1.6 tm? -136.46 105.76 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 26.7 m-85 -98.39 106.46 18.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -134.41 178.5 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.698 ' HA ' HD21 ' A' ' 53' ' ' LEU . 24.4 tttt -99.6 109.97 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.08 -21.05 7.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 59.73 168.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 0.746 . . . . 0.0 109.302 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HE2' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -51.91 -25.41 8.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -47.06 -54.02 11.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -156.26 144.8 20.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.499 ' HB1' ' OG ' ' A' ' 33' ' ' SER . . . -99.2 155.36 17.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -141.47 52.05 1.55 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 m 59.96 -177.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.82 60.35 3.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 41.2 29.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.499 ' OG ' ' HB1' ' A' ' 28' ' ' ALA . 16.4 p -84.16 -42.51 15.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 28' ' ' ALA . 3.1 tttp -87.58 -40.96 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' GLU . 12.9 mm-40 -53.13 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.987 HD13 HD21 ' A' ' 19' ' ' LEU . 5.4 tt -37.94 -39.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 33' ' ' SER . 5.6 mt -63.51 -54.69 32.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' GLN . 2.7 pt-20 -57.58 -25.28 59.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.6 mt -84.86 -43.73 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.658 HD11 HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -62.68 -25.93 68.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -92.07 -44.17 8.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -47.31 -27.51 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.769 HG21 ' CD2' ' A' ' 100' ' ' LEU . 2.1 p -67.08 -43.71 81.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.12 -23.26 29.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.847 HG12 ' HE2' ' A' ' 101' ' ' LYS . 31.0 m -56.8 -171.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 0.746 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -115.11 122.88 47.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.506 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 6.6 p90 -136.66 171.42 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -139.9 176.06 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.1 p -131.41 159.4 38.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.945 ' CE1' HD11 ' A' ' 11' ' ' LEU . 82.1 t80 -132.93 165.46 24.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -104.2 99.59 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.91 -20.39 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -72.55 -65.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -41.69 -66.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.52 87.36 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.91 -54.66 27.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -41.43 -51.84 3.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.899 HG13 ' CD2' ' A' ' 8' ' ' LEU . 94.5 t -57.27 -53.99 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' VAL . 43.5 ttt180 -38.91 -36.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -90.55 -42.81 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -62.2 -19.08 59.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.763 HD12 HG12 ' A' ' 58' ' ' VAL . 3.0 mt -83.4 -68.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -31.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.4 m -78.06 -48.8 15.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -67.76 -54.8 16.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.58 -29.31 67.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.8 t30 70.99 33.6 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.445 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 3.9 t-105 -153.63 95.8 2.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.445 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 9.7 m -40.59 105.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.486 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.5 m-85 -113.82 164.85 14.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.5 Cg_endo -74.97 -178.01 22.19 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.055 -0.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.685 ' O ' HD22 ' A' ' 19' ' ' LEU . 21.7 mm100 -137.55 179.8 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 75' ' ' TYR . 5.7 tp -140.71 142.84 34.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.664 ' N ' HD12 ' A' ' 74' ' ' LEU . 66.8 m-85 -134.0 127.04 31.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.543 HG23 HD11 ' A' ' 74' ' ' LEU . 6.3 t -137.2 135.45 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 72.34 -58.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.95 -45.83 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -74.4 146.08 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.644 HD23 ' N ' ' A' ' 81' ' ' VAL . 4.1 tt -67.53 137.05 55.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.644 ' N ' HD23 ' A' ' 80' ' ' LEU . 91.4 t -88.05 -51.25 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.635 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 148.48 -176.9 27.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.496 ' CA ' ' OE1' ' A' ' 73' ' ' GLN . . . -91.07 179.62 42.57 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.529 ' C ' HD13 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -42.37 -53.86 4.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 0.762 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.499 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -45.34 -48.59 13.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.705 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.2 mt -68.58 -61.07 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.607 HG22 HD23 ' A' ' 74' ' ' LEU . 72.8 t -41.33 -49.93 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -50.62 72.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -41.25 -43.65 2.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.705 HD22 ' O ' ' A' ' 86' ' ' ILE . 1.1 mm? -67.87 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 92' ' ' ASP . 0.4 OUTLIER -43.84 -43.47 6.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' LYS . 42.2 t0 -40.08 -65.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 95' ' ' GLU . 6.0 p30 -71.27 -43.09 67.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 93' ' ' ASN . . . 118.36 35.41 1.01 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 2.7 mm-40 -115.48 39.71 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.479 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 4.8 tp -120.27 -41.13 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.625 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -54.24 -45.57 99.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -75.04 -19.85 17.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 43.2 mm -81.62 -45.81 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.769 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -67.37 -52.71 36.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.847 ' HE2' HG12 ' A' ' 45' ' ' VAL . 1.5 mmpt? -39.67 -70.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.76 -74.77 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.1 112.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.3 m -118.22 171.95 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.44 95.86 0.12 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.068 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 87.32 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.8 p -101.12 -52.02 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.88 99.85 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.059 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.69 165.78 35.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -145.8 90.95 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.29 -156.04 26.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 m -117.98 -51.78 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.05 -46.86 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.82 110.37 1.22 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.849 ' CD2' HG13 ' A' ' 58' ' ' VAL . 11.1 mt -90.23 -64.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.04 -50.5 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 11' ' ' LEU . 13.7 p -54.26 -50.98 52.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.784 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 3.0 mt -53.03 -60.8 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.468 ' CG2' HD21 ' A' ' 62' ' ' LEU . 29.9 p -55.17 -18.95 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -121.02 36.76 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.82 -59.64 2.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.55 156.26 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.84 -32.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 72.7 t -139.85 114.03 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.472 ' HE3' ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.33 140.51 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.789 HD23 HD11 ' A' ' 40' ' ' LEU . 1.5 tm? -137.67 104.6 5.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.446 ' CE2' ' HE3' ' A' ' 18' ' ' MET . 94.6 m-85 -100.31 114.89 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 14.4 ptm -135.88 174.45 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HA ' HD21 ' A' ' 53' ' ' LEU . 1.6 ttmm -94.63 103.83 15.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.83 -31.44 3.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.54 171.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 5.8 mtmt -49.07 -55.36 12.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -41.66 -28.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.729 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -111.15 -142.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . 86.96 64.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.71 36.42 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.5 p -151.67 125.87 9.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 108.349 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' PHE . . . -41.21 -51.48 4.35 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -36.92 -40.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 111.014 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.478 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 68.7 m -92.39 -66.89 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -38.55 -47.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLU . 86.0 mt-30 -40.62 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.739 HD13 HD21 ' A' ' 19' ' ' LEU . 3.2 tt -40.42 -43.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.433 ' CD2' ' OH ' ' A' ' 47' ' ' TYR . 3.0 mt -61.43 -51.16 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' GLN . 3.1 mm-40 -55.84 -45.53 78.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.773 HG23 ' HE2' ' A' ' 91' ' ' LYS . 15.4 mt -66.73 -51.19 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.789 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -48.05 -25.16 1.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ILE . 3.1 m120 -89.42 -44.4 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.3 m -45.01 -40.55 6.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.826 HG21 ' CD2' ' A' ' 100' ' ' LEU . 32.4 p -53.45 -47.15 69.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.71 -15.28 52.82 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.125 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.878 HG12 ' HE3' ' A' ' 101' ' ' LYS . 26.7 m -66.94 -178.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.37 132.43 50.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.433 ' OH ' ' CD2' ' A' ' 37' ' ' LEU . 6.4 p90 -145.75 172.58 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -148.89 162.97 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.464 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 11.6 p -117.73 163.8 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.784 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 76.4 t80 -142.12 166.32 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.1 115.06 28.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.689 HD13 ' CD2' ' A' ' 71' ' ' TYR . 1.5 pt -92.72 -22.77 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -69.68 -72.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -45.42 -64.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.05 66.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' ARG . 1.9 pt-20 -45.17 -57.87 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -38.84 -45.38 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.849 HG13 ' CD2' ' A' ' 8' ' ' LEU . 88.2 t -67.46 -46.22 83.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -37.78 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 6.3 pt20 -74.58 -43.63 54.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.553 ' C ' HD11 ' A' ' 8' ' ' LEU . . . -45.17 -25.6 1.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.64 ' HG ' HD22 ' A' ' 8' ' ' LEU . 4.9 mt -85.48 -51.51 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' O ' ' CA ' ' A' ' 67' ' ' ASN . 23.5 pttt -40.04 -45.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 m -72.91 -39.93 65.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' LEU . 4.5 t80 -49.9 -41.31 45.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.566 ' HB3' HD22 ' A' ' 80' ' ' LEU . 70.6 m -122.37 18.38 10.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.485 ' CA ' ' O ' ' A' ' 63' ' ' LYS . 8.9 m-20 39.62 42.86 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.469 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 4.6 t-105 -150.93 101.15 3.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' CA ' ' HB2' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -74.98 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.469 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 2.2 m -38.53 138.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.689 ' CD2' HD13 ' A' ' 52' ' ' ILE . 1.6 m-85 -130.28 165.23 35.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.93 -174.75 14.63 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.057 -2.476 . . . . 0.0 110.981 -0.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.626 ' NE2' ' CE1' ' A' ' 71' ' ' TYR . 38.4 mt-30 -136.31 145.46 45.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.778 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -115.77 132.44 56.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.778 ' N ' HD13 ' A' ' 74' ' ' LEU . 47.0 m-85 -121.83 128.22 51.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.531 HG23 ' CD1' ' A' ' 74' ' ' LEU . 16.9 t -137.1 133.56 47.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.37 14.27 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.79 -47.04 1.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.51 145.65 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.796 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 66' ' ' SER . 0.5 OUTLIER -74.76 132.92 41.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 39.1 t -81.25 -54.39 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.597 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 162.63 -166.92 36.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.47 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -93.9 -167.36 37.57 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.491 HD22 ' O ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -53.77 -57.24 11.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.262 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.13 -41.01 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.643 ' O ' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -67.4 -69.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.576 ' N ' HG22 ' A' ' 86' ' ' ILE . 69.5 t -40.07 -50.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.522 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -56.46 -52.25 65.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -43.66 -52.32 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 86' ' ' ILE . 2.6 mm? -52.52 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.806 ' HB2' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -44.88 -46.88 11.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -39.16 -63.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -41.14 -51.9 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.26 46.34 0.17 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.408 ' HB3' ' HG2' ' A' ' 98' ' ' PRO . 29.6 mt-10 -146.32 -104.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.78 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.806 HD22 ' HB2' ' A' ' 91' ' ' LYS . 13.9 tp 69.97 -55.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.574 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.9 tm? -44.23 -47.97 24.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -22.09 15.19 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' LEU . 41.5 mm -77.57 -43.71 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.826 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -70.98 -56.08 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.878 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.8 mmpt? -40.43 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.03 75.62 0.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -50.34 124.43 10.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.52 117.9 14.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.7 -74.8 1.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.47 39.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.5 t -116.86 133.29 56.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.1 p -141.26 163.38 33.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.48 -57.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.016 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t 65.22 142.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.57 -121.44 0.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t 60.72 78.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 p -45.21 -58.72 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.23 117.85 4.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.658 HD12 HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.96 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -47.43 -46.07 26.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' LYS . 12.4 t -56.33 -45.89 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.054 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.6 mt -54.87 -58.17 8.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.4 p -61.51 -16.9 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -116.96 27.76 8.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -80.11 -62.14 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.66 153.35 29.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.97 -50.6 8.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.065 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 47' ' ' TYR . 77.2 t -113.54 113.42 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.614 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -104.57 135.7 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.902 HD21 HD13 ' A' ' 36' ' ' ILE . 1.9 tm? -133.08 104.7 6.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 95.7 m-85 -96.65 126.73 42.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.5 ptm -161.39 153.51 19.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HB3' HD11 ' A' ' 52' ' ' ILE . 7.5 ptmt -82.85 117.14 22.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.23 -37.56 1.87 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.12 157.51 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.08 -39.92 6.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -44.95 -48.63 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -157.47 99.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.896 ' HB1' ' HB2' ' A' ' 33' ' ' SER . . . -77.62 -87.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 29.01 82.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' SG ' ' CG ' ' A' ' 22' ' ' LYS . 44.2 t -170.04 75.02 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' PHE . . . 59.98 92.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' GLY . 8.7 m-85 34.7 61.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 0.783 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.896 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -91.43 -71.36 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -42.86 -36.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -44.95 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.902 HD13 HD21 ' A' ' 19' ' ' LEU . 6.2 tt -41.71 -48.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD12 ' CG2' ' A' ' 36' ' ' ILE . 8.8 mp -53.2 -53.64 47.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.33 -50.34 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.876 HG23 ' HE3' ' A' ' 91' ' ' LYS . 5.9 mt -61.38 -45.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.68 HD11 HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -55.28 -28.41 53.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -84.33 -50.63 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -39.98 -52.61 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.703 HG21 ' CD2' ' A' ' 100' ' ' LEU . 11.4 p -38.72 -36.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.07 -14.8 64.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.849 HG12 ' HE3' ' A' ' 101' ' ' LYS . 22.8 m -69.52 -171.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.38 138.57 51.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 4.8 p90 -150.57 169.4 21.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -135.13 165.03 26.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.7 p -123.96 158.95 30.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.377 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 1.054 ' CE1' HD11 ' A' ' 11' ' ' LEU . 80.8 t80 -137.57 162.34 34.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -102.63 120.68 40.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.561 HD11 ' HB3' ' A' ' 22' ' ' LYS . 1.3 pt -93.81 -17.43 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 22' ' ' LYS . 2.3 mt -77.56 -59.79 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -42.83 -57.84 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.1 104.99 15.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -42.64 44.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.86 -46.98 60.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.658 HG13 HD12 ' A' ' 8' ' ' LEU . 92.2 t -62.39 -45.56 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -53.03 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 2.8 pt20 -51.47 -37.06 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.25 -19.0 75.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' PHE . 8.5 mt -86.03 -63.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' ASN . 2.3 ptmt -42.87 -42.04 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.4 m -69.76 -38.99 76.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.8 t80 -49.81 -50.61 44.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -109.55 13.37 23.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' LYS . 20.0 t-20 40.31 36.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.5 ' C ' ' H ' ' A' ' 70' ' ' THR . 30.5 t-105 -127.74 77.56 76.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.035 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 29.75 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 68' ' ' TRP . 2.1 m -114.28 94.34 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.5 m-85 -91.64 163.51 27.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 -176.89 19.02 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.973 0.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.43 ' OE1' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -154.22 143.59 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -111.93 148.33 33.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.822 ' CE1' HD13 ' A' ' 80' ' ' LEU . 21.0 m-85 -134.74 127.72 31.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 74' ' ' LEU . 95.8 t -130.05 150.86 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -39.49 -31.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -67.16 -107.91 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -129.3 163.7 25.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.822 HD13 ' CE1' ' A' ' 75' ' ' TYR . 15.3 tp -58.51 95.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.8 t -44.46 -71.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.643 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.1 -157.2 27.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.466 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -99.54 -178.76 31.1 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.501 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -44.52 -64.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -40.89 -41.77 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.643 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -70.15 -66.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.446 ' N ' HG22 ' A' ' 86' ' ' ILE . 69.0 t -39.93 -60.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -46.6 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 86' ' ' ILE . 1.1 tp10 -53.08 -59.43 4.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.7 mm? -49.65 -55.51 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.876 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.5 -60.19 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -44.83 -55.41 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -57.25 -48.13 79.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.6 34.62 1.53 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -136.55 59.07 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.631 HD13 ' HB2' ' A' ' 90' ' ' LEU . 6.5 tp -128.6 -44.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.2 -45.87 98.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.98 -18.38 18.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.83 -35.01 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.703 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -75.63 -55.54 5.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.849 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.2 mmpt? -40.71 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . 152.81 83.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' GLY . 3.2 tt0 36.96 73.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.96 137.82 40.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.0 102.59 1.55 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 97.36 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.27 103.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.978 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 m 63.71 160.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -144.22 136.81 26.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m -148.59 123.96 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.67 -149.92 19.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -48.81 136.93 13.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.008 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -153.84 135.44 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.37 -57.92 0.47 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.557 1.16 . . . . 0.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.661 ' CD2' HG13 ' A' ' 58' ' ' VAL . 15.5 mt -72.93 -52.68 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -51.22 -46.34 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.82 -35.95 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.808 HD11 ' CE1' ' A' ' 50' ' ' PHE . 2.8 mt -68.93 -56.18 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -63.21 -14.56 50.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -121.23 23.35 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -60.05 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.76 157.33 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.15 -55.38 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -115.08 116.77 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.71 140.36 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.917 HD21 HD13 ' A' ' 36' ' ' ILE . 1.4 tm? -144.52 104.43 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.602 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 33.6 m-85 -90.65 105.92 18.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.487 ' SD ' HD11 ' A' ' 37' ' ' LEU . 17.7 ptm -126.75 166.35 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.68 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -101.25 124.84 47.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.9 -15.84 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER 64.9 165.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.626 ' CD ' HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -46.4 -42.94 15.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -53.68 -50.76 65.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.94 109.08 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . -113.88 47.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 68.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 177.08 160.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 35' ' ' GLN . . . -83.34 -52.79 3.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 84' ' ' LEU . 6.6 m-85 -62.37 -42.08 99.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.469 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 49.9 m -54.2 -55.87 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -70.86 -49.74 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 1.2 mm-40 -48.29 -71.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.917 HD13 HD21 ' A' ' 19' ' ' LEU . 6.6 tt -40.12 -45.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD13 ' HG3' ' A' ' 25' ' ' LYS . 10.3 mt -58.89 -61.04 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -43.35 -37.32 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.727 HG23 ' HE3' ' A' ' 91' ' ' LYS . 23.0 mt -77.81 -46.78 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.716 HD11 HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -59.69 -23.76 63.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' LEU . 2.3 t30 -91.18 -41.92 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -40.73 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.448 HG21 ' CD2' ' A' ' 100' ' ' LEU . 2.0 p -40.71 -34.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.45 8.44 77.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.653 HG12 ' HE2' ' A' ' 101' ' ' LYS . 4.2 m -98.11 -167.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.07 132.41 50.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -146.32 167.09 24.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -142.21 174.28 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.626 HG21 ' CD ' ' A' ' 25' ' ' LYS . 9.0 p -131.86 167.38 19.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.808 ' CE1' HD11 ' A' ' 11' ' ' LEU . 75.4 t80 -141.47 156.17 45.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 2.9 p30 -92.74 111.53 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 22' ' ' LYS . 1.1 pp -91.51 -18.27 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 22' ' ' LYS . 19.9 mt -82.11 -64.28 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.64 -55.54 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.31 104.01 16.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.49 -34.4 41.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -57.81 -56.64 19.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.758 HG12 HD12 ' A' ' 62' ' ' LEU . 69.0 t -60.68 -36.75 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -55.22 -57.09 13.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -72.75 -26.42 61.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -75.43 -24.65 70.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.758 HD12 HG12 ' A' ' 58' ' ' VAL . 5.2 mt -85.74 -59.57 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.767 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.96 -30.62 10.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 m -80.49 -27.79 37.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.1 t80 -90.8 -14.37 32.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.5 p -112.39 -30.1 7.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' LYS . 17.1 t30 69.31 34.19 3.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.555 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 4.0 t-105 -140.18 70.27 34.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 32.61 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.555 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 4.4 m -101.44 -56.59 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.5 m-85 55.48 162.41 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.02 168.35 77.7 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.996 -0.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.611 ' O ' HD22 ' A' ' 19' ' ' LEU . 5.9 mm-40 -132.93 152.73 51.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 75' ' ' TYR . 2.5 tp -114.03 117.07 30.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 60.0 m-85 -114.61 128.99 56.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 77' ' ' ARG . 12.5 p -125.38 167.8 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.505 ' N ' HG22 ' A' ' 76' ' ' VAL . 1.0 OUTLIER -39.0 -41.9 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.34 -120.22 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.04 170.59 11.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 82' ' ' GLY . 3.9 tt -42.58 122.37 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.642 ' O ' HG21 ' A' ' 86' ' ' ILE . 85.2 t -74.46 -43.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.728 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 129.41 163.91 11.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.29 -179.35 2.14 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.588 ' C ' HD13 ' A' ' 84' ' ' LEU . 2.0 tm? -53.93 -48.26 70.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -30.37 13.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.728 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.6 mt -84.44 -62.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.507 HG11 HD21 ' A' ' 40' ' ' LEU . 86.2 t -41.31 -63.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -49.16 11.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.76 -55.6 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.465 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.2 mm? -59.66 -64.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.727 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -41.28 -56.68 2.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.31 -56.5 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -55.4 -43.83 75.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.7 33.24 3.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -135.68 45.6 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 100' ' ' LEU . 6.0 tp -112.88 -38.83 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.5 tm? -53.4 -45.77 98.33 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -11.67 21.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.5 mm -92.39 -30.15 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.478 HD11 HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -82.95 -54.73 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.653 ' HE2' HG12 ' A' ' 45' ' ' VAL . 22.0 mmtt -49.47 -56.47 9.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.24 88.88 1.87 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.03 169.29 12.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 110.247 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 m -128.48 152.98 47.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.86 99.01 2.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 18.4 Cg_endo -74.99 -31.64 6.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.435 1.755 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.56 -78.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' PRO . 22.5 t -101.76 114.56 28.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -117.71 107.91 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.741 . . . . 0.0 110.041 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -123.05 166.3 15.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.95 -117.99 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.76 -49.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -94.2 123.89 37.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -140.83 111.3 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.527 HD23 ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -94.24 -65.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -48.12 -47.09 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 3.8 p -54.29 -40.43 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.702 HD11 ' CD1' ' A' ' 50' ' ' PHE . 42.8 tp -65.64 -48.78 71.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.521 ' CG2' HD21 ' A' ' 62' ' ' LEU . 39.8 p -65.29 -13.93 59.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -121.55 34.98 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -75.05 -64.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.47 162.25 13.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 t -43.71 -41.33 4.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.435 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 83.6 t -129.93 116.47 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.421 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -96.58 134.09 40.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.857 HD21 HD13 ' A' ' 36' ' ' ILE . 1.7 tm? -128.33 105.99 8.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 53.1 m-85 -97.14 120.09 36.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.416 ' CE ' ' HB2' ' A' ' 33' ' ' SER . 11.3 ptm -154.14 173.87 15.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.706 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -95.82 107.31 19.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.18 -29.08 5.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER 57.21 168.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.767 ' HG2' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -40.29 -36.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -55.84 -49.04 74.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ASN . 27.1 tt0 -126.94 124.56 39.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.99 -148.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt 66.61 43.01 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.04 136.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.01 32.72 73.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 54.06 40.65 31.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.449 ' O ' HG22 ' A' ' 36' ' ' ILE . 6.9 p -82.41 -70.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.8 tptm -36.92 -38.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -45.49 -66.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.857 HD13 HD21 ' A' ' 19' ' ' LEU . 6.6 tt -49.5 -41.3 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.767 HD23 ' HG2' ' A' ' 25' ' ' LYS . 10.0 mp -60.61 -61.33 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -42.14 -46.1 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.715 HG23 ' HD3' ' A' ' 91' ' ' LYS . 26.3 mt -71.88 -47.7 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.81 -25.86 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -88.55 -46.98 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 m -44.88 -46.01 10.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.923 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.573 HG21 ' CD2' ' A' ' 100' ' ' LEU . 18.7 p -43.75 -35.74 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.63 -12.33 70.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.839 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.1 m -74.87 -174.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -110.64 141.58 43.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.435 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 11.7 p90 -150.7 175.86 11.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.63 170.13 16.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.8 p -125.46 157.86 35.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.702 ' CD1' HD11 ' A' ' 11' ' ' LEU . 92.7 t80 -139.25 164.69 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 2.4 p30 -95.83 120.7 36.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -96.4 -20.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -83.79 -61.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.67 -52.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.56 95.06 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.61 -56.08 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -39.16 -51.02 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 62' ' ' LEU . 90.6 t -57.03 -49.26 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.4 ttp180 -54.12 -67.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.18 -40.81 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.8 -24.89 75.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.521 HD21 ' CG2' ' A' ' 12' ' ' THR . 7.3 mt -76.58 -60.4 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -51.07 -35.81 36.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.5 m -76.07 -25.02 55.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.527 ' CD2' HD23 ' A' ' 8' ' ' LEU . 6.3 t80 -62.7 -40.39 97.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.502 ' HB3' HD22 ' A' ' 80' ' ' LEU . 14.9 m -122.54 12.27 10.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER 46.52 38.34 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.425 ' CG ' HD21 ' A' ' 80' ' ' LEU . 66.4 t-105 -130.06 79.35 73.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.29 9.1 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.8 m -84.31 100.99 11.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.522 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 13.4 m-85 -104.76 158.25 32.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.9 171.52 67.54 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.057 -0.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.489 ' OE1' ' CE2' ' A' ' 75' ' ' TYR . 4.8 pt20 -143.07 145.41 32.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -94.43 132.87 38.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.713 ' N ' HD13 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -122.78 127.02 48.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.556 HG23 HD12 ' A' ' 74' ' ' LEU . 42.1 t -130.73 168.48 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.528 ' N ' HG12 ' A' ' 76' ' ' VAL . 3.1 mmt85 -74.04 62.11 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.99 -99.54 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -128.19 139.62 52.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 66' ' ' SER . 4.5 tp -47.48 105.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -54.69 -68.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.497 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.5 -164.42 33.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.22 -167.55 34.29 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.532 ' C ' HD13 ' A' ' 84' ' ' LEU . 2.3 tm? -46.6 -62.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.46 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -40.73 -35.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.497 HG21 ' HA3' ' A' ' 82' ' ' GLY . 0.9 OUTLIER -81.78 -66.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.505 HG13 HD21 ' A' ' 96' ' ' LEU . 74.8 t -40.23 -50.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -50.31 73.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.08 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.43 -58.35 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.496 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.0 mm? -54.21 -48.27 71.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.715 ' HD3' HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -52.26 -67.27 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -40.38 -61.43 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -50.89 -48.13 60.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.87 46.08 0.85 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -143.96 57.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.505 HD21 HG13 ' A' ' 87' ' ' VAL . 7.5 tp -130.3 -47.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.54 -46.26 95.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.99 -16.65 20.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 33.6 mm -86.37 -41.82 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.573 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -70.4 -51.54 28.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.839 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.4 mmpt? -43.32 -77.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.65 82.41 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -73.27 -39.52 65.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.2 t -115.4 130.52 56.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.01 -83.62 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 63.19 5.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 t -55.23 110.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.0 m -143.06 -58.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.52 90.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -68.57 -54.62 15.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.89 169.29 16.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.55 -54.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -112.06 163.03 14.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.63 170.6 14.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.677 ' CD1' HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -93.07 -65.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -44.14 -48.78 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' LYS . 5.4 p -52.89 -41.11 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.08 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.4 mt -60.87 -51.32 69.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.44 ' CG2' ' CD2' ' A' ' 62' ' ' LEU . 74.5 p -67.08 -11.1 56.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -124.82 25.15 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -76.72 -63.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.72 162.08 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.12 -41.89 68.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.584 HG13 HD13 ' A' ' 74' ' ' LEU . 53.1 t -123.39 106.24 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.534 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -93.17 142.95 26.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.795 HD21 HD13 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -142.33 112.29 6.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CD2' ' HB3' ' A' ' 50' ' ' PHE . 89.6 m-85 -110.54 115.44 29.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.472 ' SD ' ' CB ' ' A' ' 33' ' ' SER . 0.2 OUTLIER -146.28 178.82 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.826 ' HG3' HD11 ' A' ' 52' ' ' ILE . 18.2 mtmt -95.31 101.9 13.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.37 -34.14 1.93 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.94 168.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 5.6 mtmt -55.55 -31.62 62.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -44.19 -47.97 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -178.25 95.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB1' ' HE1' ' A' ' 21' ' ' MET . . . -39.9 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.03 42.66 9.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.54 -41.39 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.338 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.14 -28.56 14.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' GLN . 46.4 m-85 -118.32 -59.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.472 ' CB ' ' SD ' ' A' ' 21' ' ' MET . 16.4 m -39.45 -53.34 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' SER . 9.2 tptt -37.43 -40.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' PHE . 17.9 mm100 -49.79 -64.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.795 HD13 HD21 ' A' ' 19' ' ' LEU . 3.5 tt -45.75 -42.16 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.707 HD12 HG22 ' A' ' 36' ' ' ILE . 9.1 mp -62.43 -52.11 64.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.52 -46.41 57.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mt -70.83 -48.24 58.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.737 HD11 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.95 -24.0 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.43 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 78.3 m-20 -86.86 -35.4 19.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -47.34 65.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -48.06 -32.93 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.0 21.28 67.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.746 HG12 ' HE2' ' A' ' 101' ' ' LYS . 18.8 m -96.73 -170.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -86.37 121.38 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 5.5 p90 -150.95 174.22 13.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.3 -177.55 6.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p -147.12 145.76 29.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 1.08 ' CE1' HD11 ' A' ' 11' ' ' LEU . 65.7 t80 -125.13 167.45 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.486 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -107.79 123.01 47.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.826 HD11 ' HG3' ' A' ' 22' ' ' LYS . 2.8 pt -95.46 -28.12 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.505 HD21 ' HG2' ' A' ' 22' ' ' LYS . 3.6 mt -67.17 -59.89 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.22 -64.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.64 96.78 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -41.5 82.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -47.38 -42.06 21.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.677 HG13 ' CD1' ' A' ' 8' ' ' LEU . 46.7 t -72.92 -46.5 52.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.415 ' CG ' ' HD2' ' A' ' 63' ' ' LYS . 20.9 ttp180 -43.33 -67.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 61' ' ' GLY . 4.7 pt20 -56.36 -35.07 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 60' ' ' GLN . . . -62.83 -63.9 4.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.66 ' HA ' HD21 ' A' ' 8' ' ' LEU . 16.7 mt -48.09 -53.3 16.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 67' ' ' ASN . 29.1 mtpt -50.4 -31.15 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.8 m -84.59 -48.03 9.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.42 -26.72 13.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 58.2 m -113.58 -30.62 6.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 66' ' ' SER . 37.1 t30 79.9 39.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.501 ' C ' ' H ' ' A' ' 70' ' ' THR . 1.2 t-105 -134.11 68.0 73.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.473 ' CB ' ' HE2' ' A' ' 63' ' ' LYS . 18.5 Cg_endo -74.96 34.78 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.501 ' H ' ' C ' ' A' ' 68' ' ' TRP . 7.9 m -111.98 -47.82 3.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.3 m-85 55.69 161.93 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 171.59 67.35 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.028 -0.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.435 ' NE2' ' CD2' ' A' ' 68' ' ' TRP . 1.8 mt-30 -143.99 133.85 23.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.747 HD23 HG22 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -104.25 152.78 21.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.723 ' N ' HD12 ' A' ' 74' ' ' LEU . 91.7 m-85 -139.59 139.39 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 77' ' ' ARG . 12.9 p -136.91 164.88 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' N ' HG22 ' A' ' 76' ' ' VAL . 6.2 mmt180 -39.23 -40.96 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.38 -120.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.14 175.22 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 0.725 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.496 HD13 ' CE1' ' A' ' 75' ' ' TYR . 6.4 tp -58.86 104.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.415 HG21 HD21 ' A' ' 74' ' ' LEU . 61.1 t -45.88 -67.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.596 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 153.96 179.04 29.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.488 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -65.86 -165.73 1.7 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -66.32 -45.66 79.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.331 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -30.35 52.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.596 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -75.84 -67.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.747 HG22 HD23 ' A' ' 74' ' ' LEU . 82.0 t -40.52 -55.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -57.01 12.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -40.27 -50.97 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' LYS . 2.4 mm? -61.52 -67.78 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' LEU . 18.1 tptp -40.37 -49.92 2.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -53.15 -51.66 61.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -63.51 -42.18 98.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.91 42.87 2.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -145.85 56.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.6 tp -118.37 -40.11 2.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.7 tm? -53.66 -45.81 98.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.97 -10.32 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 111.025 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.0 mm -94.32 -31.79 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -80.09 -53.68 6.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.746 ' HE2' HG12 ' A' ' 45' ' ' VAL . 14.7 mmtt -50.85 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.52 -87.17 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -123.62 -64.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.3 p -147.63 104.02 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -99.41 109.06 3.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -52.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.3 p 56.19 172.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.94 84.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 110.02 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -59.91 127.65 32.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -83.14 169.58 15.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.16 -131.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 t -127.59 -57.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.69 134.74 14.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' HG12 ' A' ' 10' ' ' VAL . . . 170.86 140.31 2.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 62' ' ' LEU . 12.2 mt -94.2 -47.96 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -47.27 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.8 p -47.27 -54.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.59 HD21 ' CE2' ' A' ' 50' ' ' PHE . 5.2 tp -53.73 -52.22 60.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.9 p -63.89 -12.4 36.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -126.68 28.66 5.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' VAL . 6.0 tttm -74.0 -57.13 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . . . -118.3 155.25 30.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -40.0 -53.43 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG13 HD13 ' A' ' 74' ' ' LEU . 79.0 t -118.1 111.4 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.44 ' HE1' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.98 145.34 24.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.021 HD21 HD13 ' A' ' 36' ' ' ILE . 1.1 tm? -146.85 105.83 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 96.8 m-85 -98.46 123.78 42.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 33' ' ' SER . 4.3 ptm -149.64 178.39 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.594 ' HA ' HD21 ' A' ' 53' ' ' LEU . 7.7 ptmt -102.92 123.66 46.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.43 -16.88 37.52 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 57.24 174.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 0.815 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE2' ' CE1' ' A' ' 47' ' ' TYR . 6.8 mtmt -46.56 -35.6 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -58.26 -63.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.81 123.38 46.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . -139.35 -144.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm 66.67 41.87 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -133.72 117.59 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.63 -92.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' CYS . 93.2 m-85 -137.07 19.77 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.461 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 2.9 p -57.0 -46.08 82.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.553 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -80.76 -50.78 9.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -39.4 -58.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.021 HD13 HD21 ' A' ' 19' ' ' LEU . 7.6 tt -56.39 -40.97 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LYS . 8.1 mt -61.93 -45.52 93.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -56.18 -43.29 78.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.812 HG23 ' HE3' ' A' ' 91' ' ' LYS . 46.7 mt -74.94 -46.44 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -50.04 -23.6 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -91.62 -55.35 3.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.79 -40.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 p -44.99 -42.89 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.34 -2.13 67.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.819 HG12 ' HE3' ' A' ' 101' ' ' LYS . 13.0 m -83.47 -169.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.49 128.71 56.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 10.8 p90 -142.9 171.77 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . 3.5 mm-40 -144.57 167.88 21.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -127.49 163.75 23.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CE2' HD21 ' A' ' 11' ' ' LEU . 80.9 t80 -137.48 167.56 21.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.6 115.5 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -93.31 -27.08 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -64.4 -73.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.75 -68.86 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.89 89.11 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.8 -46.89 56.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.88 -42.64 5.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.484 HG13 ' CD2' ' A' ' 8' ' ' LEU . 79.5 t -78.73 -38.66 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -40.86 -45.35 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -91.77 -36.45 13.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -59.83 -30.67 69.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.566 ' HA ' HD13 ' A' ' 8' ' ' LEU . 1.4 mt -79.51 -67.38 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -39.72 -41.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 m -68.95 -45.34 70.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.0 t80 -46.9 -64.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -79.23 -30.02 43.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 66' ' ' SER . 40.6 t30 80.39 37.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.422 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 23.9 t-105 -138.35 79.01 31.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 0.66 8.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.1 m -82.59 64.54 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.521 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.1 m-85 -67.41 159.7 76.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.98 -176.69 18.58 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.028 -0.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -159.38 136.54 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.862 HD12 ' H ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -97.65 158.76 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.862 ' H ' HD12 ' A' ' 74' ' ' LEU . 5.9 m-85 -131.79 127.73 37.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.644 ' CG2' HG21 ' A' ' 81' ' ' VAL . 87.9 t -126.93 125.83 67.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 69.74 -66.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.5 -41.85 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -74.3 134.82 42.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.747 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 132.6 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.644 HG21 ' CG2' ' A' ' 76' ' ' VAL . 39.5 t -87.16 -61.64 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.594 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.47 -174.14 34.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.666 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -96.37 -141.36 11.94 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.14 -60.17 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.52 -33.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.594 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.1 mp -86.3 -66.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 83' ' ' GLY . 49.6 t -39.7 -58.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -50.09 -51.71 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 8.9 tt0 -42.46 -46.4 4.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.554 ' HB2' HD13 ' A' ' 96' ' ' LEU . 1.7 mm? -72.28 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.812 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -45.64 -66.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -42.11 -57.06 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 89' ' ' GLU . 61.0 m-20 -52.9 -40.72 63.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 91' ' ' LYS . . . 105.18 37.3 2.71 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -141.42 54.72 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 90' ' ' LEU . 7.0 tp -125.44 -43.96 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tm? -52.39 -46.08 94.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.03 -20.78 16.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.575 1.829 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -81.51 -40.54 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.472 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -71.35 -55.75 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.819 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.2 mmpt? -39.8 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.52 -70.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.55 160.07 14.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.8 t -96.09 139.82 31.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -130.27 156.65 21.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 84.37 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.86 80.1 9.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 39.1 m 43.56 78.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -125.34 97.87 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.6 88.1 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.97 -165.48 29.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.99 89.68 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -68.66 152.99 44.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.91 148.5 10.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.804 ' CD2' HG13 ' A' ' 58' ' ' VAL . 21.8 mt -88.65 -55.01 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -51.38 -47.52 62.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.59 -32.36 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.532 HD11 ' CD1' ' A' ' 50' ' ' PHE . 33.1 tp -75.92 -45.53 34.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 8' ' ' LEU . 71.0 p -68.22 -12.91 61.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -115.98 23.75 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.89 158.83 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.462 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -44.27 -49.85 9.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 90.1 t -119.49 112.95 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.517 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.61 143.26 27.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.011 HD21 HD13 ' A' ' 36' ' ' ILE . 1.9 tm? -142.4 106.3 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 12' ' ' THR . 73.7 m-85 -97.93 104.89 16.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.1 ptm -127.95 164.51 22.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.775 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.3 OUTLIER -96.66 107.23 19.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.71 -19.08 4.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER 58.65 158.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.67 -30.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 24' ' ' ASN . 66.2 mm-40 -55.35 -62.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.62 145.46 48.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB2' ' HD2' ' A' ' 34' ' ' LYS . . . -110.53 -159.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.61 29.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.6 m 61.64 107.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 108.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 68.31 177.46 13.02 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 51.97 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 0.793 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.7 OUTLIER -54.74 -33.41 61.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HD2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -87.03 -43.17 12.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -61.51 -60.48 3.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.011 HD13 HD21 ' A' ' 19' ' ' LEU . 5.4 tt -41.48 -44.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.761 HD21 HG21 ' A' ' 49' ' ' THR . 6.7 mt -59.6 -62.17 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -46.43 -37.32 7.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.623 HG23 ' HD3' ' A' ' 91' ' ' LYS . 69.8 mt -73.15 -52.73 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.656 HD11 HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -52.55 -24.76 8.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.56 -45.24 9.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -46.02 26.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -41.82 -37.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.9 -4.5 71.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.908 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.7 m -81.7 -170.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 16' ' ' SER . 12.7 pt-20 -108.18 137.04 46.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.427 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 10.7 p90 -150.82 174.86 12.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -147.91 164.67 33.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.761 HG21 HD21 ' A' ' 37' ' ' LEU . 23.5 p -125.24 145.29 50.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 11' ' ' LEU . 86.4 t80 -119.73 167.14 12.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.506 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 15.3 p-10 -99.4 111.06 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.775 HD11 ' HB3' ' A' ' 22' ' ' LYS . 1.2 pp -90.88 -28.63 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.79 -68.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -39.13 -55.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.68 103.12 15.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.55 -45.65 17.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -48.72 -43.34 37.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.804 HG13 ' CD2' ' A' ' 8' ' ' LEU . 70.8 t -75.42 -33.45 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -53.14 -60.88 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.461 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 4.4 pt20 -70.77 -31.21 67.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.21 -44.2 94.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.61 HD12 HG12 ' A' ' 58' ' ' VAL . 5.4 mt -64.74 -65.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.76 -36.55 5.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.4 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 8.8 m -73.53 -35.88 65.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.9 t80 -51.69 -42.17 61.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -122.32 16.56 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.037 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' LYS . 21.8 t-20 42.22 37.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.487 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 3.0 t-105 -129.51 82.68 66.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HA ' ' CB ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.0 -18.67 18.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.6 m -57.67 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.704 ' CD1' ' NE2' ' A' ' 73' ' ' GLN . 6.8 m-85 -95.18 163.31 22.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 178.32 35.21 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.005 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.704 ' NE2' ' CD1' ' A' ' 71' ' ' TYR . 30.0 mt-30 -139.3 134.03 32.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.894 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -100.63 135.31 42.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.894 ' N ' HD12 ' A' ' 74' ' ' LEU . 68.3 m-85 -129.74 136.47 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.476 HG22 ' H ' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -133.26 177.68 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.476 ' H ' HG22 ' A' ' 76' ' ' VAL . 7.0 mmt180 -69.76 59.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.47 -119.24 0.48 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -115.13 149.77 37.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 75' ' ' TYR . 5.3 tt -42.55 110.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.3 t -59.77 -59.63 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.468 ' N ' HD23 ' A' ' 80' ' ' LEU . . . 149.96 -158.58 27.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.44 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -103.73 -152.99 23.28 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.33 -59.93 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -41.63 -45.77 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.487 HG23 HD11 ' A' ' 90' ' ' LEU . 1.1 mp -65.28 -67.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.611 HG22 HD23 ' A' ' 74' ' ' LEU . 56.1 t -43.0 -55.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -56.58 17.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 18.6 tt0 -44.2 -67.15 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.487 HD11 HG23 ' A' ' 86' ' ' ILE . 2.4 mt -48.26 -60.9 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.623 ' HD3' HG23 ' A' ' 39' ' ' ILE . 4.3 tptp -45.34 -35.52 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 9.3 t0 -56.41 -65.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 90' ' ' LEU . 27.6 p30 -67.48 -19.26 65.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . 84.85 54.87 2.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -134.86 37.61 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 87' ' ' VAL . 4.6 tp -116.88 -38.24 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tm? -54.9 -45.01 99.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.02 -28.2 9.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.4 mm -76.34 -33.14 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.606 HD11 HD21 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -76.37 -61.06 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.364 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.908 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -38.48 -70.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . 104.57 79.99 1.36 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' GLY . 3.1 tt0 37.09 76.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.2 p -171.58 151.03 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.09 88.47 0.89 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 87.26 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.2 m -150.59 159.34 44.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.973 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.06 155.56 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -76.71 131.95 39.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 110.021 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.82 116.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.44 -174.46 13.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.0 150.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.32 -57.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.085 . . . . 0.0 109.975 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.58 143.88 9.8 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.504 1.128 . . . . 0.0 110.958 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.637 HD21 HG13 ' A' ' 58' ' ' VAL . 10.8 mt -89.12 -54.13 4.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -45.37 -49.55 12.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.16 -39.18 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.83 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -67.3 -46.55 73.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -73.63 -5.56 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -128.22 18.87 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -57.47 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.74 176.83 4.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -59.99 -59.69 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.751 HG13 HD13 ' A' ' 74' ' ' LEU . 54.5 t -111.76 112.72 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.548 ' HE1' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -93.2 134.33 35.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.014 HD21 HD13 ' A' ' 36' ' ' ILE . 2.2 tm? -137.64 107.06 6.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 69.4 m-85 -98.1 124.87 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.4 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 3.5 ptt? -148.85 178.19 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.619 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -105.29 121.92 44.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 24' ' ' ASN . . . 120.65 -20.96 8.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 58.89 157.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HG3' HG21 ' A' ' 49' ' ' THR . 3.7 mtmt -42.92 -40.1 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -44.12 -51.26 8.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -137.13 133.33 35.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . -109.5 -167.76 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -110.58 -37.64 5.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 5.4 t 85.64 57.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.93 -36.89 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -135.38 -73.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.761 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.4 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 1.4 m -42.51 -43.18 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 2.4 tttp -75.81 -48.22 22.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.8 -70.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.014 HD13 HD21 ' A' ' 19' ' ' LEU . 4.1 tt -42.87 -41.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.23 -61.86 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -42.8 -38.6 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.014 HG23 ' HE3' ' A' ' 91' ' ' LYS . 5.3 mt -75.96 -51.0 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.668 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.84 -23.06 11.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.426 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 1.4 m-20 -92.95 -38.3 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -51.51 -25.96 7.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.67 HG21 HD23 ' A' ' 100' ' ' LEU . 3.2 p -67.19 -31.07 71.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.71 -7.69 68.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.432 1.083 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.805 HG12 ' HE3' ' A' ' 101' ' ' LYS . 27.7 m -71.89 -170.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.86 134.63 45.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.455 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 31.7 p90 -150.2 176.9 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.29 -176.78 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.483 HG21 ' HG3' ' A' ' 25' ' ' LYS . 27.3 p -143.05 163.98 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.83 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 83.6 t80 -145.6 167.13 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 12.0 t0 -102.25 124.88 48.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -101.68 -21.85 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -69.21 -67.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.54 -66.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.65 87.44 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' ARG . 18.7 mt-10 -63.84 -50.77 67.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -42.82 -44.82 4.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.637 HG13 HD21 ' A' ' 8' ' ' LEU . 85.1 t -67.72 -39.81 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' GLU . 49.9 ttt180 -46.37 -52.1 13.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 2.3 mt-30 -88.7 -23.34 23.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.501 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -70.67 -26.86 73.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.629 ' HG ' HD22 ' A' ' 8' ' ' LEU . 4.8 mt -88.11 -63.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -41.72 -36.62 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.8 m -70.49 -61.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -40.5 -59.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.1 OUTLIER -76.66 -29.48 56.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.4 t30 76.22 38.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.74 ' CB ' HD21 ' A' ' 80' ' ' LEU . 1.9 t-105 -152.44 95.02 3.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.48 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -38.33 103.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.483 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.5 m-85 -107.52 165.76 12.23 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HG2' HD12 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.01 -173.43 12.32 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.805 ' CD ' HD11 ' A' ' 80' ' ' LEU . 30.0 mt-30 -158.43 135.83 10.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.93 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -99.24 156.35 17.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.867 ' H ' HD12 ' A' ' 74' ' ' LEU . 1.5 m-85 -127.62 125.65 40.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 99' ' ' ILE . 70.1 t -137.86 132.83 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 45.01 29.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.61 38.81 78.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' VAL . 19.9 t70 -124.38 134.79 53.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.805 HD11 ' CD ' ' A' ' 73' ' ' GLN . 33.5 tp -82.07 93.78 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.93 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.7 m -44.82 -65.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.718 ' H ' HG23 ' A' ' 81' ' ' VAL . . . 143.05 -179.59 20.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -49.7 -178.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 85' ' ' ASP . 0.8 OUTLIER -62.14 -54.31 42.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.54 ' N ' HD13 ' A' ' 84' ' ' LEU . 22.5 m-20 -48.15 -35.19 11.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.647 HG22 ' N ' ' A' ' 87' ' ' VAL . 0.9 OUTLIER -64.58 -72.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.647 ' N ' HG22 ' A' ' 86' ' ' ILE . 72.0 t -40.42 -56.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -48.5 -49.29 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -45.67 -58.75 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.722 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.9 mm? -47.1 -40.2 14.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 1.014 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -66.27 -48.79 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.8 -45.96 81.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -69.51 -58.15 4.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.17 55.33 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 2.3 mt-10 -148.14 51.16 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.016 ' O ' HD22 ' A' ' 100' ' ' LEU . 4.1 tp -118.93 -63.54 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.7 HD13 ' HG3' ' A' ' 101' ' ' LYS . 2.1 tm? -48.57 -46.72 70.9 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.06 -9.41 20.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.779 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 8.9 mm -95.49 -38.03 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.016 HD22 ' O ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -76.72 -47.77 20.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.805 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.6 mmpt? -45.39 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 172.91 -79.25 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -144.19 -177.29 5.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.734 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.75 122.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.04 73.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.86 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.8 -67.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 p -88.12 -42.58 12.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 62.01 116.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.009 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -110.98 154.37 24.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.21 -139.4 7.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.88 153.29 20.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.75 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.82 136.63 54.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' C ' HG12 ' A' ' 10' ' ' VAL . . . 152.39 129.58 1.48 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.679 ' CD2' HG13 ' A' ' 58' ' ' VAL . 10.6 mt -93.0 -54.19 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -48.79 15.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG12 ' C ' ' A' ' 7' ' ' GLY . 6.1 p -46.98 -42.68 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.511 HD21 ' CD1' ' A' ' 50' ' ' PHE . 39.4 tp -62.1 -62.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.415 ' CG2' HD21 ' A' ' 62' ' ' LEU . 44.0 p -53.68 -22.48 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -108.12 25.66 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -70.24 -59.16 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.57 167.35 10.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -54.86 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 90.8 t -120.34 118.48 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.1 mmm -102.6 150.68 23.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 36' ' ' ILE . 1.4 tm? -148.86 105.85 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.362 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -94.02 131.54 39.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.614 ' SD ' HD11 ' A' ' 37' ' ' LEU . 21.4 ptm -159.67 176.13 12.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -100.99 111.52 23.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 24' ' ' ASN . . . 133.17 -38.53 1.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.427 1.08 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER 77.21 164.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 0.726 . . . . 0.0 109.258 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -47.87 -45.16 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -43.2 -49.34 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.72 99.5 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -74.71 -19.6 60.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER 89.04 -36.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 3.8 t 89.63 142.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 108.258 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 82.56 109.6 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.839 ' CE1' HD12 ' A' ' 84' ' ' LEU . 0.2 OUTLIER 67.45 -67.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.744 . . . . 0.0 110.943 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.636 ' O ' HD13 ' A' ' 37' ' ' LEU . 11.2 m -52.35 -59.22 4.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.046 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -64.46 -33.2 75.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -47.49 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 110.24 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.936 HD13 HD21 ' A' ' 19' ' ' LEU . 6.8 tt -40.64 -51.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 33' ' ' SER . 7.1 mp -48.3 -61.55 1.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -46.53 -47.76 19.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.969 HG23 ' HE2' ' A' ' 91' ' ' LYS . 22.8 mt -62.54 -47.04 94.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.762 HD11 HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -59.65 -22.56 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -92.15 -39.78 11.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.1 -45.92 61.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.958 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.488 HG21 HD23 ' A' ' 100' ' ' LEU . 3.3 p -47.0 -31.15 3.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.45 -21.92 29.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.566 HG12 ' HE2' ' A' ' 101' ' ' LYS . 20.0 m -55.95 -172.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 9.0 pt-20 -114.79 122.25 45.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 8.1 p90 -134.61 173.93 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -145.82 166.55 25.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.2 p -126.17 166.87 16.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.511 ' CD1' HD21 ' A' ' 11' ' ' LEU . 91.8 t80 -135.89 159.45 41.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -99.82 111.66 23.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -91.02 -22.71 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -62.57 -68.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -43.34 -69.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.65 95.86 8.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.93 -40.04 65.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -50.91 -43.64 59.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.679 HG13 ' CD2' ' A' ' 8' ' ' LEU . 85.1 t -66.69 -40.32 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -59.0 -49.75 76.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -75.13 -30.28 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.43 ' C ' ' CD1' ' A' ' 8' ' ' LEU . . . -73.51 -34.79 56.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.61 HD12 HG12 ' A' ' 58' ' ' VAL . 5.4 mt -68.96 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.86 -38.79 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.411 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 7.3 m -69.17 -24.05 64.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -88.53 -55.53 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 3.8 m -72.01 -29.64 64.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER 74.61 33.31 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.413 ' NE1' ' O ' ' A' ' 70' ' ' THR . 28.5 t-105 -147.85 85.75 6.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 108.025 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -6.35 17.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.413 ' O ' ' NE1' ' A' ' 68' ' ' TRP . 4.2 m -82.9 81.31 8.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.484 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.8 m-85 -71.11 164.54 55.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.02 -173.98 13.31 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.003 0.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.453 ' O ' HD22 ' A' ' 19' ' ' LEU . 8.5 mt-30 -136.93 159.47 41.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -124.96 130.53 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.82 ' N ' HD13 ' A' ' 74' ' ' LEU . 94.1 m-85 -126.93 127.06 44.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.697 HG23 ' CD1' ' A' ' 74' ' ' LEU . 69.4 t -137.24 138.78 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.73 -71.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -167.37 -41.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -76.29 159.96 30.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.94 133.05 35.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.419 ' CG2' HD12 ' A' ' 74' ' ' LEU . 97.9 t -84.46 -60.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.654 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 163.01 -171.08 38.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.416 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -97.35 -165.42 32.26 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.839 HD12 ' CE1' ' A' ' 32' ' ' PHE . 2.1 tm? -53.54 -58.38 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.417 ' N ' HD13 ' A' ' 84' ' ' LEU . 15.8 m-20 -44.37 -36.71 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.654 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -76.75 -64.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 40' ' ' LEU . 70.0 t -41.87 -49.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -49.36 77.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -47.31 -52.9 14.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.699 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.7 mm? -59.34 -60.54 3.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.969 ' HE2' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -46.06 -58.41 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -44.11 -63.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -54.08 -36.78 63.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.2 37.98 3.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -134.38 52.19 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 90' ' ' LEU . 5.5 tp -129.66 -45.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 101' ' ' LYS . 2.1 tm? -52.9 -46.28 97.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.0 -9.4 20.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mm -94.02 -39.13 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.525 HD21 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -76.19 -48.23 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.644 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -46.16 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.47 -78.07 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -137.92 171.79 13.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.7 t -64.38 96.2 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.84 99.69 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.423 1.077 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 124.62 8.74 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.6 t -92.53 144.3 25.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -55.0 6.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.26 -59.78 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.37 99.69 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.62 -133.68 30.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.25 100.54 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.92 119.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' CA ' ' CG1' ' A' ' 10' ' ' VAL . . . -108.59 90.81 0.63 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.608 HD22 ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -89.31 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.91 -42.3 26.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.445 ' CG1' ' CA ' ' A' ' 7' ' ' GLY . 2.2 p -60.25 -35.21 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' LYS . 29.9 tp -68.12 -65.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.622 HG22 ' CE2' ' A' ' 20' ' ' PHE . 76.4 p -50.38 -22.07 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -109.84 32.57 4.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.1 tttm -73.77 -66.35 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.28 -178.81 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.14 -34.98 79.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG13 HD13 ' A' ' 74' ' ' LEU . 64.9 t -133.11 108.4 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.457 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.69 131.82 37.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.894 HD21 HD13 ' A' ' 36' ' ' ILE . 2.6 tm? -133.65 105.73 7.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.622 ' CE2' HG22 ' A' ' 12' ' ' THR . 84.5 m-85 -90.23 113.48 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.508 ' HE1' ' HB2' ' A' ' 28' ' ' ALA . 23.4 ptm -140.82 174.9 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.669 ' HA ' HD21 ' A' ' 53' ' ' LEU . 16.3 ptmt -115.64 134.11 55.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . 102.65 13.14 30.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 54.7 -179.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' CE ' ' OG1' ' A' ' 49' ' ' THR . 0.4 OUTLIER -67.27 -47.42 70.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -52.28 -62.12 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -79.56 104.95 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB2' ' HE1' ' A' ' 21' ' ' MET . . . -162.66 -165.21 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 87.73 35.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 m -96.54 25.25 5.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 108.267 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.72 46.83 92.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 170.37 -31.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.45 -44.5 14.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 29' ' ' LYS . 5.0 tptm -76.61 -51.37 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -37.59 -64.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.894 HD13 HD21 ' A' ' 19' ' ' LEU . 5.7 tt -48.56 -44.15 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' LYS . 3.6 mt -62.53 -61.92 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.9 -38.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.894 HG23 ' HE3' ' A' ' 91' ' ' LYS . 5.5 mt -78.24 -53.43 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.597 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -47.29 -30.0 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' OD1' ' CE2' ' A' ' 47' ' ' TYR . 3.0 m-20 -84.54 -35.97 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' ILE . 70.2 m -51.44 -45.73 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.741 HG21 HD23 ' A' ' 100' ' ' LEU . 18.2 p -48.44 -31.03 5.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.41 -7.19 61.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.757 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.1 m -73.64 -170.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -103.45 132.69 49.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CE2' ' OD1' ' A' ' 41' ' ' ASN . 8.9 p90 -143.37 173.8 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -149.65 175.47 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.498 ' OG1' ' CE ' ' A' ' 25' ' ' LYS . 39.9 p -134.77 154.55 51.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.422 ' CD1' HD11 ' A' ' 11' ' ' LEU . 89.6 t80 -128.79 166.77 18.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.37 99.56 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.35 -19.53 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.669 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -70.1 -65.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.86 -84.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.27 111.31 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -82.14 -51.58 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -46.38 -42.0 14.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.69 HG12 HD12 ' A' ' 62' ' ' LEU . 48.8 t -65.78 -41.1 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -59.83 -65.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -52.5 -39.66 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.31 -38.1 81.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.69 HD12 HG12 ' A' ' 58' ' ' VAL . 10.6 mt -70.53 -63.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.06 -31.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.2 m -81.71 -51.95 7.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.608 ' CD1' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -40.36 -33.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.659 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -113.43 -30.29 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 63' ' ' LYS . 34.0 t30 79.76 40.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.511 ' C ' ' H ' ' A' ' 70' ' ' THR . 8.6 t-105 -135.61 71.57 64.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 31.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 68' ' ' TRP . 99.2 m -97.99 -56.05 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.507 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.9 m-85 55.5 161.93 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.1 Cg_endo -75.04 164.58 88.06 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.973 0.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.708 ' NE2' HD11 ' A' ' 80' ' ' LEU . 2.8 mt-30 -137.69 154.67 49.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -113.22 140.2 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.651 ' N ' HD12 ' A' ' 74' ' ' LEU . 13.1 m-85 -124.93 130.73 52.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 77' ' ' ARG . 76.5 t -125.05 161.74 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' N ' HG12 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -41.11 -45.07 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.42 -108.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -128.42 171.92 11.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.708 HD11 ' NE2' ' A' ' 73' ' ' GLN . 4.4 tp -54.83 127.87 30.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.444 ' CG2' ' HG ' ' A' ' 74' ' ' LEU . 18.5 t -74.71 -63.08 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.708 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 148.39 -179.32 25.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.1 -173.5 20.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 35' ' ' GLN . 33.7 tp -57.1 -52.73 64.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.23 -36.16 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.708 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -74.33 -64.47 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.407 ' N ' HG22 ' A' ' 86' ' ' ILE . 78.9 t -43.11 -59.9 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -54.41 6.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -44.37 -57.01 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.611 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.3 mm? -55.32 -55.92 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.894 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.08 -55.59 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.2 -54.92 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -54.5 -54.2 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.71 36.99 0.93 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 0.9 OUTLIER -140.29 51.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.263 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' A' ' 90' ' ' LEU . 5.5 tp -122.6 -42.55 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.612 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.0 tm? -52.78 -45.96 96.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.02 -19.92 17.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 38.6 mm -82.54 -39.95 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.741 HD23 HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -72.8 -54.48 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.757 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -39.99 -66.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.26 83.47 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -116.87 152.21 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.46 -61.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.39 -147.76 12.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.61 5.22 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.534 1.808 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.72 -65.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.96 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.8 m 57.2 86.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.31 111.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -168.09 -60.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.051 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.67 -169.21 19.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.68 -62.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 p -97.54 148.9 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.45 144.93 9.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.77 HD21 ' HA ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -93.65 -64.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.34 -46.8 4.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' LYS . 8.1 p -56.21 -47.7 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.88 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 1.7 mt -48.59 -57.78 5.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 p -60.51 -21.33 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -115.99 34.14 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -86.83 -55.34 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -117.22 155.77 28.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -38.98 -62.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.417 HG22 ' OE2' ' A' ' 103' ' ' GLU . 98.7 t -111.2 117.56 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.734 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -98.45 141.95 30.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.879 HD21 HD13 ' A' ' 36' ' ' ILE . 1.5 tm? -143.16 104.27 4.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 95.0 m-85 -93.2 131.01 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.4 ptm -146.76 178.8 8.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.863 ' CG ' HD11 ' A' ' 52' ' ' ILE . 19.9 mttp -109.65 105.33 14.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 24' ' ' ASN . . . 130.73 -33.37 2.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER 79.06 160.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -32.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -48.39 -56.46 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -137.09 133.13 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.798 ' HB1' ' OG ' ' A' ' 33' ' ' SER . . . -106.64 108.12 19.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.63 33.4 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.7 t -108.1 66.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 108.325 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.95 91.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 52.67 53.31 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 111.01 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.798 ' OG ' ' HB1' ' A' ' 28' ' ' ALA . 11.1 p -79.63 -63.82 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' N ' ' OG ' ' A' ' 33' ' ' SER . 5.9 pttp -38.68 -40.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -43.64 -61.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.879 HD13 HD21 ' A' ' 19' ' ' LEU . 6.2 tt -53.24 -38.94 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.674 HD12 ' CG2' ' A' ' 36' ' ' ILE . 9.3 mp -64.06 -49.18 73.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.84 -40.02 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.576 HG23 ' CE ' ' A' ' 91' ' ' LYS . 24.3 mt -73.42 -50.06 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.655 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -51.35 -22.56 2.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -90.04 -40.67 12.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.15 -44.44 21.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 100' ' ' LEU . 4.8 p -48.87 -49.54 39.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.87 -18.03 22.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 101' ' ' LYS . 34.2 m -65.6 -179.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -113.09 122.7 48.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 47' ' ' TYR . 4.8 p90 -128.94 171.08 12.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -139.33 164.89 28.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.6 p -124.16 156.4 36.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.39 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.88 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 86.7 t80 -130.05 167.71 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 14.5 t0 -105.82 115.19 29.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.863 HD11 ' CG ' ' A' ' 22' ' ' LYS . 2.6 pt -91.36 -30.46 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -55.13 -64.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.16 55.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.665 ' OD1' HG23 ' A' ' 58' ' ' VAL . 2.1 t0 173.95 49.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.73 -39.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -55.99 -50.34 71.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.665 HG23 ' OD1' ' A' ' 55' ' ' ASP . 54.7 t -67.71 -37.05 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -58.76 -52.39 65.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.471 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 8.3 pt20 -73.31 -36.11 66.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.8 -38.57 96.35 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.77 ' HA ' HD21 ' A' ' 8' ' ' LEU . 7.5 mt -69.59 -66.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -42.45 -44.94 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.7 m -65.82 -40.8 92.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.9 t80 -45.77 -56.03 5.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.517 ' HB3' HD22 ' A' ' 80' ' ' LEU . 17.0 m -110.34 19.55 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.1 m120 40.58 43.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.507 ' C ' ' H ' ' A' ' 70' ' ' THR . 52.5 t-105 -127.05 73.64 76.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.001 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HA ' ' CB ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.05 29.68 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.507 ' H ' ' C ' ' A' ' 68' ' ' TRP . 80.9 p -121.36 92.62 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.608 ' CE2' HD13 ' A' ' 52' ' ' ILE . 4.9 m-85 -82.67 163.3 52.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.95 -174.97 15.05 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.027 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -136.15 157.24 47.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -128.25 136.1 50.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.731 ' N ' HD13 ' A' ' 74' ' ' LEU . 63.3 m-85 -128.22 127.16 42.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.549 HG23 HD12 ' A' ' 74' ' ' LEU . 96.1 t -136.59 136.47 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 69.71 -65.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.34 -44.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.42 145.13 37.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 66' ' ' SER . 1.7 tp -61.06 143.97 54.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.421 HG21 ' CG2' ' A' ' 76' ' ' VAL . 79.7 t -97.57 -56.35 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.622 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 150.85 -169.92 30.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.55 -167.95 32.52 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.517 ' C ' HD13 ' A' ' 84' ' ' LEU . 3.1 tm? -45.84 -63.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -39.74 -37.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.622 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -79.06 -67.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.568 HG22 ' HG ' ' A' ' 74' ' ' LEU . 75.6 t -40.04 -53.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -52.7 58.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -42.19 -50.47 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.556 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.9 mm? -62.56 -62.78 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.576 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -45.86 -61.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.75 -61.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -52.88 -30.15 32.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' LYS . . . 91.28 44.08 4.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -140.24 45.96 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.556 HD13 ' HB2' ' A' ' 90' ' ' LEU . 5.0 tp -123.88 -42.31 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.42 -46.03 98.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.01 -12.16 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.3 mm -87.19 -39.45 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.698 ' N ' HD13 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -80.3 -52.78 7.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.515 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -53.2 -44.97 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -89.27 35.69 3.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.417 ' OE2' HG22 ' A' ' 17' ' ' VAL . 1.7 mt-10 -57.78 174.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.346 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.67 117.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.7 176.85 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 159.74 41.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.6 m -149.94 115.86 5.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 t 58.13 168.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.58 154.28 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.51 174.47 5.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.23 83.56 0.34 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t 51.62 64.86 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -174.4 149.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.493 ' CA ' ' CG1' ' A' ' 10' ' ' VAL . . . -90.77 80.35 1.36 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.689 HD12 HG13 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -85.64 -64.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.329 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.06 -40.6 45.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.493 ' CG1' ' CA ' ' A' ' 7' ' ' GLY . 2.6 p -65.11 -37.17 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.683 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 2.3 mt -59.26 -41.75 89.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 8' ' ' LEU . 28.4 p -72.61 -41.65 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.524 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 12.4 p30 -93.5 21.96 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' VAL . 3.9 ttmt -69.03 -61.38 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.716 ' HB3' ' HG2' ' A' ' 48' ' ' GLU . . . -113.4 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -49.84 69.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.8 t -120.48 111.21 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -96.54 138.08 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.043 HD21 HD13 ' A' ' 36' ' ' ILE . 2.3 tm? -137.73 105.59 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 96.4 m-85 -98.46 113.52 25.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.451 ' CE ' ' O ' ' A' ' 22' ' ' LYS . 12.2 ptm -141.19 178.54 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -102.36 117.72 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.69 -23.47 11.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 60.38 -179.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.692 ' HG3' HG21 ' A' ' 49' ' ' THR . 12.8 mtmt -58.84 -40.73 85.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' LYS . 81.8 mm-40 -38.64 -44.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.64 140.4 14.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.11 139.88 46.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -59.07 2.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.19 -74.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.248 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 32' ' ' PHE . . . -113.41 163.92 12.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER 74.16 -56.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 110.967 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.513 ' O ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -66.53 -71.5 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.976 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -48.13 -32.55 7.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . 45.3 mm-40 -53.39 -71.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.043 HD13 HD21 ' A' ' 19' ' ' LEU . 4.6 tt -38.95 -41.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD12 ' CG2' ' A' ' 36' ' ' ILE . 9.3 mp -62.49 -56.68 15.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.91 -45.75 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.832 HG23 ' HE3' ' A' ' 91' ' ' LYS . 13.2 mt -71.92 -48.82 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.61 HD11 ' CD2' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -54.51 -30.12 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -88.65 -26.77 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -60.94 -30.23 70.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 100' ' ' LEU . 24.4 p -67.18 -29.47 69.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.8 17.23 73.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.732 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.8 m -97.66 174.98 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 18.0 mp0 -72.21 131.01 42.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 7.1 p90 -151.42 168.72 23.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.716 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 7.6 pt-20 -144.14 -177.3 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.692 HG21 ' HG3' ' A' ' 25' ' ' LYS . 2.3 p -148.64 142.0 25.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.683 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 74.2 t80 -123.84 167.24 14.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -105.99 112.77 25.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.74 -26.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -60.44 -71.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.74 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.16 89.96 1.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.17 -57.78 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 61' ' ' GLY . 4.5 mt-10 -39.07 -54.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.689 HG13 HD12 ' A' ' 8' ' ' LEU . 69.6 t -54.84 -50.32 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -28.33 61.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -91.1 -17.8 25.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . -97.24 -16.28 35.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.632 ' HA ' HD21 ' A' ' 8' ' ' LEU . 5.5 mt -83.92 -25.99 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 69' ' ' PRO . 3.0 pttt -79.33 -36.42 39.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 m -79.68 -11.93 59.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -73.84 -44.92 54.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.706 ' CB ' HD22 ' A' ' 80' ' ' LEU . 26.0 m -122.33 15.56 10.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 48.26 34.53 4.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.48 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 5.1 t-105 -128.14 84.31 63.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.992 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.07 -4.29 15.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.48 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 29.6 m -78.73 128.46 33.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.494 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.7 m-85 -122.09 163.55 31.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.586 ' HG2' HD12 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.93 172.95 60.34 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.042 -0.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.409 ' NE2' ' HB3' ' A' ' 68' ' ' TRP . 4.8 mt-30 -127.06 145.96 50.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.719 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -106.44 126.58 52.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.719 ' N ' HD13 ' A' ' 74' ' ' LEU . 25.3 m-85 -123.82 133.21 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 77' ' ' ARG . 38.9 t -130.29 163.85 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.451 ' N ' HG12 ' A' ' 76' ' ' VAL . 4.4 tpt180 -71.23 62.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.0 -97.8 0.11 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -125.05 134.01 52.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.706 HD22 ' CB ' ' A' ' 66' ' ' SER . 4.8 tp -45.52 115.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.416 ' CG2' HD12 ' A' ' 74' ' ' LEU . 94.5 t -59.43 -66.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.408 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 151.35 -173.8 30.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.446 1.091 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.29 -174.58 35.16 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 84' ' ' LEU . 1.2 tm? -54.21 -48.13 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.79 -35.63 23.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.605 HG23 HD11 ' A' ' 90' ' ' LEU . 1.1 mp -77.56 -62.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.433 HG11 HD21 ' A' ' 40' ' ' LEU . 84.7 t -41.94 -54.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.5 -58.95 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.1 tp10 -44.89 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.605 HD11 HG23 ' A' ' 86' ' ' ILE . 1.2 mt -40.96 -54.66 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.832 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.76 -42.22 71.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' GLU . 16.0 t0 -60.22 -45.48 93.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.42 -35.31 73.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.04 24.21 7.75 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.23 53.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.803 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.3 tp -131.95 -45.4 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.29 -46.26 94.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -14.95 21.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.547 1.814 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.22 -40.57 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -72.13 -51.16 22.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.732 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -40.8 -76.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -167.42 -83.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.46 157.41 16.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.0 m -81.75 130.18 34.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.63 157.13 18.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 72.8 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.3 t 60.14 167.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 t -112.6 116.99 31.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t -146.29 131.32 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.001 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.66 123.78 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.85 162.67 19.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 p -136.43 15.26 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.21 -47.47 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.978 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.81 111.57 0.07 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.673 ' CD1' HG13 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -92.12 -65.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 109.284 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -42.36 -44.41 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 11' ' ' LEU . 13.0 p -63.67 -49.91 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.876 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.2 mt -51.24 -68.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.545 HG22 HD21 ' A' ' 62' ' ' LEU . 59.2 p -43.47 -29.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.423 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' VAL . 48.3 m-20 -117.19 50.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.604 ' HD3' HD23 ' A' ' 11' ' ' LEU . 19.0 ttpt -92.62 -58.51 2.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 48' ' ' GLU . . . -105.39 168.81 8.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -50.07 -48.06 53.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.47 HG12 ' HB2' ' A' ' 47' ' ' TYR . 41.7 t -125.02 117.5 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -99.21 135.59 40.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 36' ' ' ILE . 1.3 tm? -135.52 115.25 12.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 91.8 m-85 -109.1 125.73 52.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.541 ' HE3' ' HB3' ' A' ' 33' ' ' SER . 4.4 ptm -149.61 175.57 11.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -97.14 117.79 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 27' ' ' GLU . . . 111.82 -23.05 17.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.425 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.7 OUTLIER 63.16 173.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' ASN . 3.8 mtmt -40.64 -29.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' N ' ' C ' ' A' ' 24' ' ' ASN . 23.0 mt-30 -60.32 -75.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HB2' ' CA ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -72.72 147.0 46.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . -176.85 105.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' CYS . 2.4 mmpt? -92.63 33.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' LYS . 1.5 m 40.85 84.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 108.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.526 ' C ' ' CG ' ' A' ' 32' ' ' PHE . . . 172.85 92.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CG ' ' C ' ' A' ' 31' ' ' GLY . 3.5 m-85 74.19 -55.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.541 ' HB3' ' HE3' ' A' ' 21' ' ' MET . 0.3 OUTLIER -58.84 -69.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.882 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 5.3 tptm -62.71 -47.41 83.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' GLU . 2.7 mm-40 -42.46 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.936 HD13 HD21 ' A' ' 19' ' ' LEU . 3.5 tt -41.11 -40.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.496 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 1.5 mt -61.34 -49.54 76.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' GLN . 2.2 mt-10 -59.79 -39.81 86.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.909 HG23 ' HE2' ' A' ' 91' ' ' LYS . 21.8 mt -70.31 -49.2 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.613 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -52.8 -21.98 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.42 -44.98 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -42.87 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.514 HG21 HD23 ' A' ' 100' ' ' LEU . 2.2 p -44.69 -40.03 5.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.48 -3.64 63.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.83 HG12 ' HE3' ' A' ' 101' ' ' LYS . 19.1 m -83.92 -172.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.83 131.04 56.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 6.7 p90 -138.85 168.11 20.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . 6.3 mm-40 -136.01 159.52 41.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 5.7 p -119.91 166.59 13.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.876 ' CE1' HD11 ' A' ' 11' ' ' LEU . 84.1 t80 -144.63 167.47 22.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 1.4 p-10 -100.88 117.63 35.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.721 HD13 ' CE2' ' A' ' 71' ' ' TYR . 1.2 pt -94.7 -31.8 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -57.52 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.76 -66.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.16 73.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.41 -48.61 80.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -44.94 -42.16 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.673 HG13 ' CD1' ' A' ' 8' ' ' LEU . 67.2 t -66.77 -47.78 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -69.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 61' ' ' GLY . 1.2 pp0? -52.36 -50.66 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' OE1' ' A' ' 60' ' ' GLN . . . -59.5 -14.67 28.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.545 HD21 HG22 ' A' ' 12' ' ' THR . 5.1 mt -92.02 -67.79 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' O ' ' CA ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -44.14 -38.46 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -74.19 -37.07 64.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CD2' HD23 ' A' ' 8' ' ' LEU . 15.7 t80 -43.1 -45.57 5.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.686 ' HB3' HD22 ' A' ' 80' ' ' LEU . 21.3 m -122.36 7.24 9.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' CA ' ' O ' ' A' ' 63' ' ' LYS . 6.5 t30 54.42 37.34 27.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.51 ' C ' ' H ' ' A' ' 70' ' ' THR . 29.3 t-105 -126.63 79.56 71.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.043 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 30.41 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.51 ' H ' ' C ' ' A' ' 68' ' ' TRP . 1.8 m -114.05 93.65 4.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CE2' HD13 ' A' ' 52' ' ' ILE . 14.8 m-85 -81.32 162.24 59.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.96 -175.28 15.68 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.998 -0.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -136.88 126.92 26.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -110.01 130.02 55.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.982 ' N ' HD12 ' A' ' 74' ' ' LEU . 49.1 m-85 -128.57 132.37 48.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.643 HG22 ' H ' ' A' ' 77' ' ' ARG . 9.5 p -136.93 175.67 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.643 ' H ' HG22 ' A' ' 76' ' ' VAL . 4.4 tmt_? -37.69 -46.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.422 ' H ' HG13 ' A' ' 76' ' ' VAL . . . -60.5 -131.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' VAL . 3.8 p-10 -116.74 177.31 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 66' ' ' SER . 12.0 tp -48.23 94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 79' ' ' ASP . 41.2 t -41.16 -73.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.467 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 150.69 178.68 25.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.5 -164.37 1.21 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.449 ' C ' HD13 ' A' ' 84' ' ' LEU . 1.7 tm? -62.11 -57.31 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.403 ' N ' HD13 ' A' ' 84' ' ' LEU . 2.7 m-20 -40.94 -41.34 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -68.0 -68.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.655 HG22 HD23 ' A' ' 74' ' ' LEU . 72.9 t -44.31 -53.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -52.78 -56.94 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ASP . 18.2 tt0 -45.18 -68.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.618 ' HB2' HD13 ' A' ' 96' ' ' LEU . 1.4 mt -44.67 -53.35 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.909 ' HE2' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -53.72 -35.89 61.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 89' ' ' GLU . 17.6 t70 -67.46 -52.82 34.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -61.46 -43.28 99.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.85 29.86 3.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.13 52.83 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 90' ' ' LEU . 7.0 tp -131.81 -48.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.0 tm? -53.42 -46.04 98.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.97 -13.36 21.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.9 mm -89.02 -43.86 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.578 ' N ' HD13 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -69.8 -49.23 54.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.83 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.8 mmpt? -44.31 -27.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 100' ' ' LEU . . . -90.15 36.23 3.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -61.44 158.05 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 110.313 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.401 ' N ' ' HB2' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -46.04 150.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.63 68.63 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.83 36.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.773 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.81 73.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.39 -58.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.95 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -60.72 143.04 55.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -106.25 -55.06 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.009 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.5 99.36 2.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -84.67 118.96 24.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.99 175.08 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.962 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.53 172.6 14.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.777 ' CD1' HG13 ' A' ' 58' ' ' VAL . 1.7 tp -75.36 -61.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -47.33 10.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 33.0 t -60.98 -37.53 77.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.968 HD11 ' CE1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -61.93 -53.91 49.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 12' ' ' THR . 19.9 p -68.65 -11.57 60.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -117.57 17.28 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' VAL . 2.4 ttmt -73.02 -61.36 1.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.471 ' HB2' ' HG3' ' A' ' 48' ' ' GLU . . . -112.38 148.06 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.77 -48.92 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.962 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 t -113.62 107.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.44 124.74 39.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.887 HD11 HG21 ' A' ' 36' ' ' ILE . 1.8 tm? -118.27 106.01 12.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 42.1 m-85 -101.07 108.04 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.861 ' CE ' ' HB2' ' A' ' 28' ' ' ALA . 3.1 ptt? -136.4 178.68 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.708 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -104.75 107.81 18.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.78 -29.83 2.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.25 156.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HG3' HG21 ' A' ' 49' ' ' THR . 12.7 mtmt -40.1 -37.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -39.94 -41.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 169.49 165.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.861 ' HB2' ' CE ' ' A' ' 21' ' ' MET . . . -149.75 -74.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 40.33 74.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.49 -46.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.28 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 143.05 152.5 5.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' GLN . 15.4 m-85 58.88 -76.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' GLY . 5.5 m -36.16 -50.3 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.691 ' HD2' ' HB3' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -66.09 -48.26 71.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' PHE . 18.2 mm-40 -46.55 -65.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.887 HG21 HD11 ' A' ' 19' ' ' LEU . 1.3 tt -41.96 -44.11 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD12 ' SD ' ' A' ' 21' ' ' MET . 1.5 mt -65.27 -48.45 73.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.98 -34.48 63.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.664 HG23 ' CE ' ' A' ' 91' ' ' LYS . 44.1 mt -80.47 -50.26 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.646 HD11 HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -50.05 -23.49 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -28.29 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -74.01 -3.04 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.957 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.446 ' C ' ' H ' ' A' ' 45' ' ' VAL . 39.4 p -134.4 84.52 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 45' ' ' VAL . . . -73.14 10.35 5.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 46' ' ' GLU . 2.3 m -55.71 -165.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' N ' HG23 ' A' ' 45' ' ' VAL . 3.6 mt-10 -78.86 109.97 13.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -151.03 178.44 9.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 2.2 mt-10 -162.05 175.84 11.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.532 HG21 ' HG3' ' A' ' 25' ' ' LYS . 2.9 p -136.72 138.87 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.968 ' CE1' HD11 ' A' ' 11' ' ' LEU . 83.6 t80 -121.11 165.58 15.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -109.94 115.44 29.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -87.95 -15.73 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -74.22 -65.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -45.77 -70.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -78.3 87.29 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.26 -35.72 81.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.55 -55.25 36.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 8' ' ' LEU . 78.9 t -54.12 -46.01 66.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -53.95 -70.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -54.32 -35.52 62.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.438 ' C ' HD21 ' A' ' 8' ' ' LEU . . . -73.8 -12.7 80.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' PHE . 5.0 mt -92.55 -62.52 1.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -44.81 -36.4 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.8 m -75.6 -37.35 59.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.693 ' CD2' HD23 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -53.99 -37.29 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' ASN . 3.5 m -122.39 13.68 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.039 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' LYS . 44.0 t30 39.9 39.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.463 ' CE2' ' HB ' ' A' ' 70' ' ' THR . 24.0 t-105 -130.71 77.64 75.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.55 7.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.804 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.463 ' HB ' ' CE2' ' A' ' 68' ' ' TRP . 23.4 m -76.35 89.23 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.514 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 26.1 m-85 -86.99 157.17 54.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.817 ' HG2' HD12 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.07 167.23 81.07 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.982 0.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.713 ' HG3' HD13 ' A' ' 80' ' ' LEU . 8.3 tt0 -133.56 116.95 16.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.76 HD11 HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -94.13 149.81 20.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.565 ' H ' HD12 ' A' ' 74' ' ' LEU . 9.5 m-85 -132.85 126.8 33.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.76 HG23 HD11 ' A' ' 74' ' ' LEU . 26.5 t -137.43 144.88 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 64.43 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -169.28 -41.63 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -77.95 161.33 27.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.713 HD13 ' HG3' ' A' ' 73' ' ' GLN . 0.4 OUTLIER -80.67 124.47 29.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.0 t -72.8 -63.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.549 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.55 -169.27 34.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.469 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -96.52 -162.45 32.69 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD2' HD12 ' A' ' 39' ' ' ILE . 1.7 tm? -56.65 -56.03 26.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -36.46 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.605 HG22 ' N ' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -72.93 -70.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.605 ' N ' HG22 ' A' ' 86' ' ' ILE . 73.3 t -40.31 -58.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -53.17 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -48.33 -69.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.57 HD22 ' H ' ' A' ' 90' ' ' LEU . 2.6 mm? -42.17 -57.03 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.664 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -50.11 -45.89 53.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -65.09 -64.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -44.05 -43.56 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.95 40.73 1.94 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -141.82 50.4 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.784 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.516 ' HG ' HD22 ' A' ' 100' ' ' LEU . 7.5 tp -117.51 -43.15 2.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.48 -45.61 98.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.06 -36.55 2.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.37 -37.37 79.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.516 HD22 ' HG ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -76.84 -60.94 2.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.427 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -38.38 -64.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . 86.09 86.77 1.02 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' GLY . 3.2 tt0 37.39 79.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 m -154.98 150.06 26.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.61 98.97 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.89 3.87 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 t 56.58 85.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 44.89 82.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.783 HD21 HG13 ' A' ' 58' ' ' VAL . 10.7 mt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.63 -48.99 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 11' ' ' LEU . 8.4 p -53.21 -48.48 54.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.975 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 1.6 mt -54.2 -55.43 28.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.8 p -63.95 -16.79 62.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -115.18 25.93 10.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 10' ' ' VAL . 13.1 ttpt -78.69 -57.2 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.59 152.81 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 m -40.64 -52.91 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 91.4 t -118.32 112.87 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -99.02 141.03 32.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 36' ' ' ILE . 1.5 tm? -139.81 104.96 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.603 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 44.6 m-85 -95.26 127.2 41.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.9 ptm -161.54 169.63 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.925 ' HB2' HD11 ' A' ' 53' ' ' LEU . 1.5 ptmm? -86.55 113.44 22.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.84 -31.88 6.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.498 HD21 ' N ' ' A' ' 51' ' ' ASP . 1.5 m-20 56.0 171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG2' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -38.99 -30.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 24' ' ' ASN . 46.4 mm-40 -55.33 -63.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -114.19 145.54 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.658 ' O ' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.628 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 25.9 tttt -69.7 -32.83 71.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.2 mm100 -48.18 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.003 HD13 HD21 ' A' ' 19' ' ' LEU . 10.1 tt -39.36 -49.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.658 HD13 ' O ' ' A' ' 33' ' ' SER . 6.7 mp -51.67 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -38.69 -38.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.926 HG23 ' HE3' ' A' ' 91' ' ' LYS . 28.6 mt -73.47 -50.55 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 19' ' ' LEU . 1.1 mt -55.93 -24.59 38.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -93.1 -50.45 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.5 m -44.04 -32.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 39' ' ' ILE . 2.6 p -55.88 -47.14 77.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.11 -8.55 42.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.622 HG12 ' HE3' ' A' ' 101' ' ' LYS . 16.7 m -75.6 -171.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -107.31 134.52 50.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.467 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 15.3 p90 -150.95 174.68 12.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -147.91 173.08 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.2 p -127.37 164.52 21.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.975 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 74.8 t80 -146.27 162.73 37.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.498 ' N ' HD21 ' A' ' 24' ' ' ASN . 1.3 p30 -96.33 129.19 43.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.41 -18.83 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.925 HD11 ' HB2' ' A' ' 22' ' ' LYS . 4.5 mt -82.52 -63.73 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.36 -44.79 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.09 80.12 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.1 -52.86 57.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -40.74 -47.53 2.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.783 HG13 HD21 ' A' ' 8' ' ' LEU . 87.5 t -63.99 -45.44 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -40.21 -66.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -74.12 -30.97 62.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.509 ' C ' HD11 ' A' ' 8' ' ' LEU . . . -60.33 -28.63 67.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.604 ' HG ' HD22 ' A' ' 8' ' ' LEU . 6.8 mt -86.03 -59.0 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.93 -39.09 39.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 m -71.03 -23.62 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.1 t80 -88.94 -50.12 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.623 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -77.55 -30.21 52.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 63' ' ' LYS . 8.2 t-20 74.22 33.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.439 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 18.2 t-105 -147.64 83.36 7.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 107.997 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.43 8.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 70' ' ' THR . 3.1 m -84.45 62.6 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.386 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.486 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.7 m-85 -52.45 165.04 0.56 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.02 -174.64 14.5 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.957 0.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 18.6 mt-30 -141.51 137.66 32.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.823 HD23 HG22 ' A' ' 87' ' ' VAL . 3.3 tp -114.16 133.53 55.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.644 ' N ' HD12 ' A' ' 74' ' ' LEU . 72.4 m-85 -118.88 127.45 53.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.446 HG11 ' O ' ' A' ' 99' ' ' ILE . 94.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.623 HD22 ' OG ' ' A' ' 66' ' ' SER . 5.5 tp . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG21 ' CG2' ' A' ' 76' ' ' VAL . 71.2 t -79.05 -61.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.643 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.19 -166.01 33.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 86' ' ' ILE . . . -101.73 -179.09 28.13 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 84' ' ' LEU . 3.0 tm? -41.78 -59.83 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -43.1 -42.5 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.643 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -73.44 -63.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.823 HG22 HD23 ' A' ' 74' ' ' LEU . 89.8 t -41.93 -62.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.61 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -46.01 -45.46 15.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -46.48 -61.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.5 ' H ' HD22 ' A' ' 90' ' ' LEU . 3.3 mm? -52.12 -62.44 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.926 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -43.2 -58.92 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.85 -56.35 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -54.55 -41.57 69.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.82 39.69 2.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -141.3 49.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.478 ' CD2' HD21 ' A' ' 100' ' ' LEU . 6.0 tp -119.71 -40.21 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.627 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tm? -53.76 -45.31 98.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.98 -16.47 20.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.446 ' O ' HG11 ' A' ' 76' ' ' VAL . 17.3 mm -87.38 -35.25 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.478 HD21 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -76.18 -54.87 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.622 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.6 mmpt? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -47.64 -36.2 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.445 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 2.7 p -69.91 -37.53 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.974 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.4 mt -61.77 -40.1 93.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 9' ' ' LYS . 78.9 p -71.18 -32.97 69.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.544 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 24.5 p30 -101.46 19.71 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -64.32 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.62 164.6 13.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -63.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.461 ' CG1' HD13 ' A' ' 40' ' ' LEU . 56.8 t -108.96 111.29 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.523 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.82 138.15 32.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.945 HD21 HD13 ' A' ' 36' ' ' ILE . 1.9 tm? -139.16 104.66 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 62' ' ' LEU . 84.5 m-85 -94.21 124.93 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 3.9 ptm -159.86 173.44 15.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.961 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -91.48 116.51 28.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.59 -28.02 7.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.44 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 56.68 164.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.24 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -40.61 -29.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.44 ' N ' ' C ' ' A' ' 24' ' ' ASN . 73.4 mm-40 -55.29 -63.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.03 140.3 49.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.708 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.471 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 14.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.708 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 8.2 tttp -84.0 -41.08 17.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -71.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.945 HD13 HD21 ' A' ' 19' ' ' LEU . 7.7 tt -42.09 -44.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD21 ' CG2' ' A' ' 49' ' ' THR . 6.1 mt -59.93 -57.72 11.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.5 -37.38 17.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.713 HG23 ' CE ' ' A' ' 91' ' ' LYS . 10.2 mt -75.73 -48.73 28.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.648 HD11 HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -54.12 -25.1 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.53 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 3.3 m-20 -86.82 -35.78 18.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.7 -44.71 58.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.632 HG21 HD23 ' A' ' 100' ' ' LEU . 9.2 p -50.43 -30.8 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.1 -2.99 67.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.757 HG12 ' HE3' ' A' ' 101' ' ' LYS . 22.4 m -75.27 -172.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.9 126.65 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.543 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 25.2 p90 -143.6 177.44 8.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -158.61 -178.25 7.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.475 ' CG2' HD21 ' A' ' 37' ' ' LEU . 34.2 p -137.28 166.13 24.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.974 ' CE1' HD11 ' A' ' 11' ' ' LEU . 82.4 t80 -148.08 163.52 36.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.524 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -94.87 124.48 38.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.805 HD13 ' CE2' ' A' ' 71' ' ' TYR . 1.1 pp -101.01 -10.79 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' A' ' 22' ' ' LYS . 5.1 mt -90.26 -68.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -38.69 -40.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 95.89 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.37 -49.7 46.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -43.54 -54.45 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 78.9 t -56.0 -42.87 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.4 ttt-85 -59.25 -56.34 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -67.02 -12.12 58.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.31 -45.22 4.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 20' ' ' PHE . 17.3 mt -67.04 -56.08 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.97 -36.73 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.3 m -77.43 -56.86 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -37.61 -47.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.773 ' OG ' HD22 ' A' ' 80' ' ' LEU . 1.3 t -95.7 -29.34 14.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 66' ' ' SER . 49.1 t30 79.48 36.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.357 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.464 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 1.8 t-105 -147.34 92.33 4.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.61 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.464 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 3.0 m -40.77 98.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.805 ' CE2' HD13 ' A' ' 52' ' ' ILE . 13.6 m-85 -85.84 162.87 45.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -75.0 -173.35 12.17 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.06 -2.475 . . . . 0.0 111.02 0.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 0.5 OUTLIER -145.06 126.31 14.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.675 HD23 HG22 ' A' ' 87' ' ' VAL . 1.6 tp -103.43 138.08 40.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.594 ' N ' HD12 ' A' ' 74' ' ' LEU . 42.4 m-85 -128.22 132.1 48.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.513 HG21 ' HA ' ' A' ' 100' ' ' LEU . 2.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.773 HD22 ' OG ' ' A' ' 66' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.01 -63.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.547 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 153.07 -163.4 30.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.71 172.06 43.94 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.567 HD23 ' CB ' ' A' ' 36' ' ' ILE . 1.4 tm? -44.49 -53.08 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -48.62 -47.66 39.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.547 HG21 ' HA3' ' A' ' 82' ' ' GLY . 6.1 mt -65.76 -58.64 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.675 HG22 HD23 ' A' ' 74' ' ' LEU . 83.0 t -45.3 -60.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.33 -45.89 46.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -46.76 -64.37 0.79 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.9 mm? -51.16 -63.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.713 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -42.75 -47.86 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -54.87 -54.98 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.81 -35.64 77.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.63 43.02 2.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -142.95 52.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.493 ' CD2' HD21 ' A' ' 100' ' ' LEU . 5.8 tp -124.39 -42.67 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tm? -54.39 -45.16 99.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.06 -17.53 19.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.6 mm -87.7 -32.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.632 HD23 HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -77.46 -55.09 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.757 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.79 HD23 ' HD2' ' A' ' 65' ' ' PHE . 1.6 tp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -32.74 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 p -74.94 -38.62 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.081 HD11 ' CE1' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -60.59 -39.42 88.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -76.88 0.39 21.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -138.5 25.23 2.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -61.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.68 169.75 8.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.45 -49.03 71.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 66.5 t -122.79 113.09 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.524 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -93.34 142.13 27.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 36' ' ' ILE . 1.7 tm? -143.39 106.16 4.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 80.7 m-85 -97.98 118.09 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -145.32 178.73 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.66 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -114.99 116.27 28.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.25 -13.46 4.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.18 160.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.804 ' HG3' HG21 ' A' ' 49' ' ' THR . 0.6 OUTLIER -60.81 -33.96 73.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -41.02 -47.39 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -163.48 114.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.9 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -79.78 -55.45 4.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -44.64 -69.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.007 HD13 HD21 ' A' ' 19' ' ' LEU . 4.6 tt -41.36 -42.89 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.19 -50.33 70.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -39.24 62.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.537 HG23 ' HD3' ' A' ' 91' ' ' LYS . 30.1 mt -77.93 -48.57 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -50.23 -27.5 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.423 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 9.4 m-20 -85.56 -48.04 9.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.38 -51.59 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.707 HG21 ' CD2' ' A' ' 100' ' ' LEU . 15.5 p -39.58 -39.26 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.77 -13.9 61.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.783 HG12 ' HE3' ' A' ' 101' ' ' LYS . 17.4 m -66.28 -171.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.07 131.36 51.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.437 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 16.6 p90 -145.0 177.22 8.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -147.02 179.77 7.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.804 HG21 ' HG3' ' A' ' 25' ' ' LYS . 1.9 p -140.83 142.22 34.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.445 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 1.081 ' CE1' HD11 ' A' ' 11' ' ' LEU . 58.7 t80 -130.0 130.29 44.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -70.97 131.91 44.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.67 -8.96 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.66 HD11 ' HB2' ' A' ' 22' ' ' LYS . 14.1 mt -82.69 -67.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.5 -55.33 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.11 113.96 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -88.09 -46.19 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -47.08 -43.2 19.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.666 HG11 ' CE2' ' A' ' 50' ' ' PHE . 85.4 t -71.93 -32.69 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -61.14 -70.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 17.5 pt20 -57.75 -48.39 79.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' A' ' 60' ' ' GLN . . . -52.4 -24.9 18.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.593 ' HA ' HD21 ' A' ' 8' ' ' LEU . 6.4 mt -79.96 -69.53 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -33.48 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -74.24 -29.21 61.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.79 ' HD2' HD23 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -89.32 -61.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.608 ' OG ' HD12 ' A' ' 80' ' ' LEU . 2.3 t -62.06 -29.57 70.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 73.51 33.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.548 ' CG ' ' OE1' ' A' ' 73' ' ' GLN . 6.9 t-105 -147.96 89.92 5.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 p -49.37 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.487 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.6 m-85 -95.76 165.34 16.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.5 Cg_endo -74.98 -173.97 13.27 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.005 -0.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.868 ' OE1' HD11 ' A' ' 80' ' ' LEU . 3.5 mt-30 -138.37 137.98 37.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.766 HD13 ' N ' ' A' ' 75' ' ' TYR . 1.5 tm? -101.31 131.98 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.766 ' N ' HD13 ' A' ' 74' ' ' LEU . 28.9 m-85 -127.33 132.26 50.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.414 HG12 HG23 ' A' ' 81' ' ' VAL . 8.4 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.868 HD11 ' OE1' ' A' ' 73' ' ' GLN . 4.9 tt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.576 ' CG2' HD12 ' A' ' 74' ' ' LEU . 57.5 t -53.87 -57.9 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.466 ' N ' HD23 ' A' ' 80' ' ' LEU . . . 147.37 -177.49 25.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.79 -157.16 4.6 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.691 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.2 tm? -69.9 -50.37 42.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.418 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -46.7 -35.24 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.548 HG23 HD11 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -77.56 -63.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' A' ' 90' ' ' LEU . 40.1 t -44.28 -59.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.69 -57.43 3.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -46.45 -66.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.56 ' HB2' HD13 ' A' ' 96' ' ' LEU . 1.4 mt -42.04 -55.7 3.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.537 ' HD3' HG23 ' A' ' 39' ' ' ILE . 39.5 tptt -51.21 -50.02 59.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -49.69 46.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.34 -47.73 82.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.06 33.17 2.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -135.11 58.17 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 90' ' ' LEU . 6.2 tp -120.67 -42.96 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tm? -53.92 -45.8 98.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.98 -17.18 19.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 99' ' ' ILE . 34.5 mm -86.71 -36.65 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.707 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -74.41 -54.3 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.783 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.942 HD11 HG13 ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -43.61 -48.94 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' LYS . 71.0 t -62.06 -38.5 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.916 HD11 ' CE1' ' A' ' 50' ' ' PHE . 5.5 mt -63.49 -58.17 7.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.0 p -61.75 -19.24 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 9' ' ' LYS . 77.8 m-20 -117.72 27.77 8.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.99 -62.75 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.62 153.63 24.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -43.89 -42.18 5.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -121.97 112.3 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.534 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -100.72 134.68 43.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.867 HD21 HD13 ' A' ' 36' ' ' ILE . 1.7 tm? -133.23 104.49 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 62' ' ' LEU . 89.8 m-85 -94.45 107.29 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.575 ' HE1' ' HA ' ' A' ' 28' ' ' ALA . 9.8 ptm -129.55 170.61 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.693 ' HB2' HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -96.07 116.52 29.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.27 48.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m120 61.57 -175.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.594 ' CD ' HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -50.18 -43.93 52.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -46.26 -26.89 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -121.29 -165.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.644 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 11.3 tptt -81.86 -50.35 9.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -49.84 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.867 HD13 HD21 ' A' ' 19' ' ' LEU . 3.9 tt -41.12 -43.06 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD11 ' HG3' ' A' ' 25' ' ' LYS . 1.4 mt -63.32 -55.78 21.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' SER . 3.8 mm-40 -44.1 -46.9 8.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.749 HG23 ' HE3' ' A' ' 91' ' ' LYS . 6.5 mt -70.47 -49.07 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.624 HD11 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.28 -27.46 35.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 t30 -93.69 -34.47 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.436 ' HB3' ' CE ' ' A' ' 91' ' ' LYS . 9.9 t -56.77 -26.4 57.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 p -63.19 -45.0 93.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.58 -1.31 63.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.86 HG12 ' HE3' ' A' ' 101' ' ' LYS . 11.1 m -81.78 -168.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.85 132.22 51.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -149.93 167.8 25.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -141.7 175.12 9.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.594 HG21 ' CD ' ' A' ' 25' ' ' LYS . 73.2 p -135.04 162.07 33.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.916 ' CE1' HD11 ' A' ' 11' ' ' LEU . 73.7 t80 -136.4 167.47 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -97.32 117.07 30.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -99.39 -10.33 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 22' ' ' LYS . 28.0 mt -89.3 -68.86 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.13 -62.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.36 107.47 15.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.01 -50.92 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -43.83 -43.3 6.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.942 HG13 HD11 ' A' ' 8' ' ' LEU . 58.2 t -75.95 -46.35 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' VAL . 44.5 ttp180 -38.35 -69.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' LYS . 3.0 pt20 -70.36 -36.04 73.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.32 -11.29 32.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HA ' HD21 ' A' ' 8' ' ' LEU . 2.4 mt -90.44 -41.6 11.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 1.6 ptpt -57.82 -31.06 66.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 18.3 m -82.14 -11.52 58.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.621 ' CD2' HD23 ' A' ' 8' ' ' LEU . 28.9 t80 -63.73 -59.24 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 m -122.44 20.6 10.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 17.5 t-20 55.96 42.86 28.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.514 ' CD1' ' O ' ' A' ' 70' ' ' THR . 69.8 t-105 -127.15 82.48 68.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.457 ' HA ' ' CB ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -74.91 0.83 8.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 21.7 m -89.57 143.73 26.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 23.9 m-85 -144.85 152.6 52.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.99 168.34 77.74 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.006 -0.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' CB ' ' CD1' ' A' ' 68' ' ' TRP . 1.7 pt20 -125.39 -179.11 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.686 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -135.14 134.13 39.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.686 ' N ' HD13 ' A' ' 74' ' ' LEU . 14.1 m-85 -123.61 128.32 49.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.564 HG23 HD12 ' A' ' 74' ' ' LEU . 74.4 t . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 76' ' ' VAL . 30.0 t -96.62 -55.96 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.533 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 159.72 -160.38 31.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.49 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -102.92 -156.65 25.24 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.76 -61.08 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -42.24 -40.79 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.533 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -73.32 -67.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.593 HG11 HD21 ' A' ' 40' ' ' LEU . 79.0 t -41.19 -55.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -45.77 62.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -49.95 -69.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.628 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.0 mm? -42.86 -54.83 3.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.749 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -53.71 -45.35 70.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.42 -61.13 2.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -49.9 -39.83 41.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.21 45.0 1.78 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -145.76 49.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.628 HD13 ' HB2' ' A' ' 90' ' ' LEU . 4.2 tp -120.16 -41.93 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.624 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tm? -55.86 -45.64 99.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -75.01 -29.71 7.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 99' ' ' ILE . 13.0 mm -74.78 -33.47 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.499 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -76.23 -61.02 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.86 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.7 mmpt? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.775 HD21 ' HA ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -49.14 -46.94 45.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.3 p -57.29 -45.24 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.713 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 2.4 mt -50.8 -58.28 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.0 p -58.55 -16.07 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -116.63 21.13 13.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -72.49 -58.46 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.42 161.98 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -50.08 -48.13 53.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.2 t -121.51 109.11 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.569 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.08 132.82 39.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.931 HD23 HD11 ' A' ' 40' ' ' LEU . 1.2 tm? -131.98 104.75 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 96.4 m-85 -92.82 118.9 31.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.756 ' SD ' HD11 ' A' ' 37' ' ' LEU . 28.2 ptm -145.29 178.41 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.517 ' HA ' HD21 ' A' ' 53' ' ' LEU . 8.0 tmtt? -98.44 111.24 23.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.79 -18.35 26.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.3 m120 61.41 170.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -39.78 -30.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASN . 44.3 mm-40 -51.19 -50.1 59.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.73 147.96 31.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HA ' ' HE1' ' A' ' 21' ' ' MET . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.678 ' O ' HD13 ' A' ' 37' ' ' LEU . 1.4 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -79.98 -39.73 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -46.55 -63.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.851 HD13 HD21 ' A' ' 19' ' ' LEU . 6.9 tt -42.64 -52.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.756 HD11 ' SD ' ' A' ' 21' ' ' MET . 7.1 mp -49.56 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.26 -37.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.457 HD12 ' CD2' ' A' ' 84' ' ' LEU . 37.8 mt -76.62 -54.71 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.931 HD11 HD23 ' A' ' 19' ' ' LEU . 1.1 mt -54.41 -28.57 44.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.167 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -81.26 -37.82 27.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -44.89 39.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.732 HG21 HD23 ' A' ' 100' ' ' LEU . 31.8 p -56.24 -23.24 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.06 19.82 32.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.647 HG12 ' HE3' ' A' ' 101' ' ' LYS . 21.0 m -94.28 175.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -66.66 126.79 30.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.558 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 10.8 p90 -151.1 -179.78 7.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.88 177.02 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.536 HG21 ' HG3' ' A' ' 25' ' ' LYS . 2.5 p -134.09 153.4 51.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.713 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 59.6 t80 -133.91 162.43 32.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' N ' HD21 ' A' ' 24' ' ' ASN . 2.6 p30 -102.13 126.39 49.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -99.14 -12.12 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.608 HD22 ' H ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -77.24 -70.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -41.05 -90.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.91 94.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.0 -52.32 20.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -44.33 -52.21 7.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.502 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 92.7 t -58.01 -38.23 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -59.8 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -68.95 -28.42 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.445 ' N ' ' HG3' ' A' ' 60' ' ' GLN . . . -72.15 -33.92 61.77 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.775 ' HA ' HD21 ' A' ' 8' ' ' LEU . 6.3 mt -73.38 -62.82 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.69 -44.08 13.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -67.25 -38.43 85.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 5.5 t80 -43.07 -55.03 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.0 m -118.5 23.5 11.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LYS . 14.3 t-20 40.42 35.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CD1' ' NE2' ' A' ' 73' ' ' GLN . 2.3 t-105 -128.12 88.08 53.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.79 2.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.442 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 8.2 m -38.63 118.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.492 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.6 m-85 -117.56 162.5 28.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -74.98 -176.04 17.26 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.019 -0.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.558 ' NE2' ' CD1' ' A' ' 68' ' ' TRP . 2.1 mt-30 -143.7 133.48 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.795 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.3 tp -98.18 127.08 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.795 ' N ' HD12 ' A' ' 74' ' ' LEU . 38.5 m-85 -120.7 129.01 53.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.0 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.469 HD21 HE22 ' A' ' 73' ' ' GLN . 4.5 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.74 -66.69 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.554 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 153.98 -156.68 26.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.87 -175.36 44.13 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.8 tm? -50.94 -54.93 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -47.4 -45.48 25.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.554 HG21 ' HA3' ' A' ' 82' ' ' GLY . 0.8 OUTLIER -66.17 -63.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.619 HG22 HD23 ' A' ' 74' ' ' LEU . 75.7 t -40.47 -57.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -51.78 53.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -42.75 -47.85 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.599 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.7 mm? -66.67 -46.61 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HB2' HD22 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -55.79 -57.41 12.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -48.67 -53.09 20.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -58.67 -52.93 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.52 35.2 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.5 51.69 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.599 HD13 ' HB2' ' A' ' 90' ' ' LEU . 6.0 tp -124.95 -49.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.9 -46.35 97.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.04 -13.73 21.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.4 mm -89.76 -43.23 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -69.99 -48.67 57.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.647 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.899 ' CD2' HG13 ' A' ' 58' ' ' VAL . 16.0 mt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.3 ptpt -45.22 -50.96 11.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.6 p -52.18 -46.61 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.945 HD11 ' CE1' ' A' ' 50' ' ' PHE . 2.4 mt -58.69 -57.85 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -61.66 -19.54 62.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LYS . 77.5 m-20 -117.01 30.43 7.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -78.42 -63.55 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.31 157.09 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -40.25 -53.96 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.516 HG13 HD13 ' A' ' 74' ' ' LEU . 90.6 t -119.72 113.58 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.553 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -97.28 140.12 32.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.987 HD21 HD13 ' A' ' 36' ' ' ILE . 1.6 tm? -136.46 105.76 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 26.7 m-85 -98.39 106.46 18.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -134.41 178.5 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.698 ' HA ' HD21 ' A' ' 53' ' ' LEU . 24.4 tttt -99.6 109.97 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.08 -21.05 7.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 59.73 168.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 0.746 . . . . 0.0 109.302 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HE2' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -51.91 -25.41 8.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -47.06 -54.02 11.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -156.26 144.8 20.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.499 ' HB1' ' OG ' ' A' ' 33' ' ' SER . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.499 ' OG ' ' HB1' ' A' ' 28' ' ' ALA . 16.4 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 28' ' ' ALA . 3.1 tttp -87.58 -40.96 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' GLU . 12.9 mm-40 -53.13 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.987 HD13 HD21 ' A' ' 19' ' ' LEU . 5.4 tt -37.94 -39.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 33' ' ' SER . 5.6 mt -63.51 -54.69 32.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' GLN . 2.7 pt-20 -57.58 -25.28 59.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.6 mt -84.86 -43.73 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.658 HD11 HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -62.68 -25.93 68.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -92.07 -44.17 8.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -47.31 -27.51 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.769 HG21 ' CD2' ' A' ' 100' ' ' LEU . 2.1 p -67.08 -43.71 81.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.12 -23.26 29.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.847 HG12 ' HE2' ' A' ' 101' ' ' LYS . 31.0 m -56.8 -171.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 0.746 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -115.11 122.88 47.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.506 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 6.6 p90 -136.66 171.42 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -139.9 176.06 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.1 p -131.41 159.4 38.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.945 ' CE1' HD11 ' A' ' 11' ' ' LEU . 82.1 t80 -132.93 165.46 24.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -104.2 99.59 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.91 -20.39 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -72.55 -65.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -41.69 -66.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.52 87.36 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.91 -54.66 27.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -41.43 -51.84 3.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.899 HG13 ' CD2' ' A' ' 8' ' ' LEU . 94.5 t -57.27 -53.99 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' VAL . 43.5 ttt180 -38.91 -36.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -90.55 -42.81 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -62.2 -19.08 59.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.763 HD12 HG12 ' A' ' 58' ' ' VAL . 3.0 mt -83.4 -68.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -31.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.4 m -78.06 -48.8 15.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -67.76 -54.8 16.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.58 -29.31 67.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.8 t30 70.99 33.6 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.445 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 3.9 t-105 -153.63 95.8 2.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.445 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 9.7 m -40.59 105.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.486 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.5 m-85 -113.82 164.85 14.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.5 Cg_endo -74.97 -178.01 22.19 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.055 -0.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.685 ' O ' HD22 ' A' ' 19' ' ' LEU . 21.7 mm100 -137.55 179.8 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 75' ' ' TYR . 5.7 tp -140.71 142.84 34.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.664 ' N ' HD12 ' A' ' 74' ' ' LEU . 66.8 m-85 -134.0 127.04 31.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.543 HG23 HD11 ' A' ' 74' ' ' LEU . 6.3 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.644 HD23 ' N ' ' A' ' 81' ' ' VAL . 4.1 tt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.644 ' N ' HD23 ' A' ' 80' ' ' LEU . 91.4 t -88.05 -51.25 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.635 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 148.48 -176.9 27.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.496 ' CA ' ' OE1' ' A' ' 73' ' ' GLN . . . -91.07 179.62 42.57 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.529 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -42.37 -53.86 4.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 0.762 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.499 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -45.34 -48.59 13.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.705 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.2 mt -68.58 -61.07 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.607 HG22 HD23 ' A' ' 74' ' ' LEU . 72.8 t -41.33 -49.93 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -50.62 72.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -41.25 -43.65 2.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.705 HD22 ' O ' ' A' ' 86' ' ' ILE . 1.1 mm? -67.87 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 92' ' ' ASP . 0.4 OUTLIER -43.84 -43.47 6.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' LYS . 42.2 t0 -40.08 -65.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 95' ' ' GLU . 6.0 p30 -71.27 -43.09 67.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 93' ' ' ASN . . . 118.36 35.41 1.01 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 2.7 mm-40 -115.48 39.71 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.479 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 4.8 tp -120.27 -41.13 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.625 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -54.24 -45.57 99.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -75.04 -19.85 17.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 43.2 mm -81.62 -45.81 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.769 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -67.37 -52.71 36.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.847 ' HE2' HG12 ' A' ' 45' ' ' VAL . 1.5 mmpt? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.849 ' CD2' HG13 ' A' ' 58' ' ' VAL . 11.1 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.04 -50.5 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 11' ' ' LEU . 13.7 p -54.26 -50.98 52.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.784 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 3.0 mt -53.03 -60.8 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.468 ' CG2' HD21 ' A' ' 62' ' ' LEU . 29.9 p -55.17 -18.95 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -121.02 36.76 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.82 -59.64 2.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.55 156.26 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.84 -32.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 72.7 t -139.85 114.03 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.472 ' HE3' ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.33 140.51 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.789 HD23 HD11 ' A' ' 40' ' ' LEU . 1.5 tm? -137.67 104.6 5.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.446 ' CE2' ' HE3' ' A' ' 18' ' ' MET . 94.6 m-85 -100.31 114.89 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 14.4 ptm -135.88 174.45 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HA ' HD21 ' A' ' 53' ' ' LEU . 1.6 ttmm -94.63 103.83 15.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.83 -31.44 3.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.54 171.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 5.8 mtmt -49.07 -55.36 12.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -41.66 -28.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.729 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -111.15 -142.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.478 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 68.7 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -38.55 -47.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLU . 86.0 mt-30 -40.62 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.739 HD13 HD21 ' A' ' 19' ' ' LEU . 3.2 tt -40.42 -43.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.433 ' CD2' ' OH ' ' A' ' 47' ' ' TYR . 3.0 mt -61.43 -51.16 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' GLN . 3.1 mm-40 -55.84 -45.53 78.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.773 HG23 ' HE2' ' A' ' 91' ' ' LYS . 15.4 mt -66.73 -51.19 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.789 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -48.05 -25.16 1.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ILE . 9.8 m-80 -89.42 -44.4 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.3 m -45.01 -40.55 6.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.826 HG21 ' CD2' ' A' ' 100' ' ' LEU . 32.4 p -53.45 -47.15 69.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.71 -15.28 52.82 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.125 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.878 HG12 ' HE3' ' A' ' 101' ' ' LYS . 26.7 m -66.94 -178.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.37 132.43 50.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.433 ' OH ' ' CD2' ' A' ' 37' ' ' LEU . 6.4 p90 -145.75 172.58 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -148.89 162.97 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.464 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 11.6 p -117.73 163.8 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.784 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 76.4 t80 -142.12 166.32 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.1 115.06 28.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.689 HD13 ' CD2' ' A' ' 71' ' ' TYR . 1.5 pt -92.72 -22.77 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -69.68 -72.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -45.42 -64.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.05 66.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' ARG . 1.9 pt-20 -45.17 -57.87 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -38.84 -45.38 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.849 HG13 ' CD2' ' A' ' 8' ' ' LEU . 88.2 t -67.46 -46.22 83.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -37.78 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 6.3 pt20 -74.58 -43.63 54.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.553 ' C ' HD11 ' A' ' 8' ' ' LEU . . . -45.17 -25.6 1.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.64 ' HG ' HD22 ' A' ' 8' ' ' LEU . 4.9 mt -85.48 -51.51 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.485 ' O ' ' CA ' ' A' ' 67' ' ' ASN . 23.5 pttt -40.04 -45.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 m -72.91 -39.93 65.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' LEU . 4.5 t80 -49.9 -41.31 45.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.566 ' HB3' HD22 ' A' ' 80' ' ' LEU . 70.6 m -122.37 18.38 10.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.485 ' CA ' ' O ' ' A' ' 63' ' ' LYS . 8.9 m-20 39.62 42.86 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.469 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 4.6 t-105 -150.93 101.15 3.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.414 ' CA ' ' HB2' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -74.98 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.469 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 2.2 m -38.53 138.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.689 ' CD2' HD13 ' A' ' 52' ' ' ILE . 1.6 m-85 -130.28 165.23 35.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.93 -174.75 14.63 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.057 -2.476 . . . . 0.0 110.981 -0.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.48 ' OE1' ' CE1' ' A' ' 71' ' ' TYR . 59.5 mt-30 -136.31 145.46 45.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.778 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -115.77 132.44 56.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.778 ' N ' HD13 ' A' ' 74' ' ' LEU . 47.0 m-85 -121.83 128.22 51.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.531 HG23 ' CD1' ' A' ' 74' ' ' LEU . 16.9 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 66' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 39.1 t -81.25 -54.39 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.597 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 162.63 -166.92 36.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.47 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -93.9 -167.36 37.57 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.491 HD22 ' O ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -53.77 -57.24 11.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.262 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.13 -41.01 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.643 ' O ' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -67.4 -69.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.576 ' N ' HG22 ' A' ' 86' ' ' ILE . 69.5 t -40.07 -50.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.522 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -56.46 -52.25 65.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -43.66 -52.32 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 86' ' ' ILE . 2.6 mm? -52.52 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.806 ' HB2' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -44.88 -46.88 11.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -39.16 -63.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -41.14 -51.9 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.26 46.34 0.17 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.408 ' HB3' ' HG2' ' A' ' 98' ' ' PRO . 29.6 mt-10 -146.32 -104.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.78 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.806 HD22 ' HB2' ' A' ' 91' ' ' LYS . 13.9 tp 69.97 -55.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.574 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.9 tm? -44.23 -47.97 24.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -22.09 15.19 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' LEU . 41.5 mm -77.57 -43.71 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.826 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -70.98 -56.08 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.878 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.8 mmpt? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.658 HD12 HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -47.43 -46.07 26.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' LYS . 12.4 t -56.33 -45.89 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.054 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.6 mt -54.87 -58.17 8.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.4 p -61.51 -16.9 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -116.96 27.76 8.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -80.11 -62.14 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.66 153.35 29.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.97 -50.6 8.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.065 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 47' ' ' TYR . 77.2 t -113.54 113.42 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.614 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -104.57 135.7 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.902 HD21 HD13 ' A' ' 36' ' ' ILE . 1.9 tm? -133.08 104.7 6.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 95.7 m-85 -96.65 126.73 42.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.5 ptm -161.39 153.51 19.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HB3' HD11 ' A' ' 52' ' ' ILE . 7.5 ptmt -82.85 117.14 22.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.23 -37.56 1.87 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.12 157.51 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.08 -39.92 6.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -44.95 -48.63 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -157.47 99.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.896 ' HB1' ' HB2' ' A' ' 33' ' ' SER . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.896 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -42.86 -36.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -44.95 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.902 HD13 HD21 ' A' ' 19' ' ' LEU . 6.2 tt -41.71 -48.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD12 ' CG2' ' A' ' 36' ' ' ILE . 8.8 mp -53.2 -53.64 47.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.33 -50.34 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.876 HG23 ' HE3' ' A' ' 91' ' ' LYS . 5.9 mt -61.38 -45.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.68 HD11 HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -55.28 -28.41 53.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -84.33 -50.63 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -39.98 -52.61 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.703 HG21 ' CD2' ' A' ' 100' ' ' LEU . 11.4 p -38.72 -36.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.07 -14.8 64.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.849 HG12 ' HE3' ' A' ' 101' ' ' LYS . 22.8 m -69.52 -171.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.38 138.57 51.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.486 ' CD1' ' C ' ' A' ' 47' ' ' TYR . 4.8 p90 -150.57 169.4 21.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -135.13 165.03 26.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.7 p -123.96 158.95 30.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.377 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 1.054 ' CE1' HD11 ' A' ' 11' ' ' LEU . 80.8 t80 -137.57 162.34 34.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -102.63 120.68 40.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.561 HD11 ' HB3' ' A' ' 22' ' ' LYS . 1.3 pt -93.81 -17.43 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 22' ' ' LYS . 2.3 mt -77.56 -59.79 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -42.83 -57.84 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.1 104.99 15.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -42.64 44.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.86 -46.98 60.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.658 HG13 HD12 ' A' ' 8' ' ' LEU . 92.2 t -62.39 -45.56 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -53.03 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 2.8 pt20 -51.47 -37.06 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.25 -19.0 75.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' PHE . 8.5 mt -86.03 -63.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' ASN . 2.3 ptmt -42.87 -42.04 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.4 m -69.76 -38.99 76.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.8 t80 -49.81 -50.61 44.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -109.55 13.37 23.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' LYS . 20.0 t-20 40.31 36.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.531 ' CD1' ' NE2' ' A' ' 73' ' ' GLN . 30.5 t-105 -127.74 77.56 76.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.035 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 29.75 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 68' ' ' TRP . 2.1 m -114.28 94.34 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.5 m-85 -91.64 163.51 27.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 -176.89 19.02 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.973 0.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.712 HE22 HD21 ' A' ' 80' ' ' LEU . 3.0 mt-30 -154.22 143.59 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -111.93 148.33 33.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.822 ' CE1' HD13 ' A' ' 80' ' ' LEU . 21.0 m-85 -134.74 127.72 31.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 74' ' ' LEU . 95.8 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.822 HD13 ' CE1' ' A' ' 75' ' ' TYR . 15.3 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.8 t -44.46 -71.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.643 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.1 -157.2 27.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.466 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -99.54 -178.76 31.1 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.501 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -44.52 -64.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -40.89 -41.77 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.643 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -70.15 -66.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.446 ' N ' HG22 ' A' ' 86' ' ' ILE . 69.0 t -39.93 -60.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -46.6 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 86' ' ' ILE . 1.1 tp10 -53.08 -59.43 4.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.7 mm? -49.65 -55.51 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.876 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.5 -60.19 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -44.83 -55.41 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -57.25 -48.13 79.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.6 34.62 1.53 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -136.55 59.07 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.631 HD13 ' HB2' ' A' ' 90' ' ' LEU . 6.5 tp -128.6 -44.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.2 -45.87 98.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.98 -18.38 18.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.83 -35.01 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.703 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -75.63 -55.54 5.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.849 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.2 mmpt? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.661 ' CD2' HG13 ' A' ' 58' ' ' VAL . 15.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -51.22 -46.34 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.82 -35.95 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.808 HD11 ' CE1' ' A' ' 50' ' ' PHE . 2.8 mt -68.93 -56.18 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -63.21 -14.56 50.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -121.23 23.35 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -60.05 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.76 157.33 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.15 -55.38 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -115.08 116.77 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.71 140.36 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.917 HD21 HD13 ' A' ' 36' ' ' ILE . 1.4 tm? -144.52 104.43 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.602 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 33.6 m-85 -90.65 105.92 18.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.487 ' SD ' HD11 ' A' ' 37' ' ' LEU . 17.7 ptm -126.75 166.35 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.68 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -101.25 124.84 47.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.9 -15.84 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER 64.9 165.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.626 ' CD ' HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -46.4 -42.94 15.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -53.68 -50.76 65.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.94 109.08 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.469 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 49.9 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -70.86 -49.74 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -48.29 -71.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.917 HD13 HD21 ' A' ' 19' ' ' LEU . 6.6 tt -40.12 -45.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD13 ' HG3' ' A' ' 25' ' ' LYS . 10.3 mt -58.89 -61.04 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -43.35 -37.32 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.727 HG23 ' HE3' ' A' ' 91' ' ' LYS . 23.0 mt -77.81 -46.78 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.716 HD11 HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -59.69 -23.76 63.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' LEU . 2.3 t30 -91.18 -41.92 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -40.73 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.448 HG21 ' CD2' ' A' ' 100' ' ' LEU . 2.0 p -40.71 -34.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.45 8.44 77.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.653 HG12 ' HE2' ' A' ' 101' ' ' LYS . 4.2 m -98.11 -167.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.07 132.41 50.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -146.32 167.09 24.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -142.21 174.28 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.626 HG21 ' CD ' ' A' ' 25' ' ' LYS . 9.0 p -131.86 167.38 19.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.808 ' CE1' HD11 ' A' ' 11' ' ' LEU . 75.4 t80 -141.47 156.17 45.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 2.9 p30 -92.74 111.53 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 22' ' ' LYS . 1.1 pp -91.51 -18.27 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 22' ' ' LYS . 19.9 mt -82.11 -64.28 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.64 -55.54 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.31 104.01 16.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.49 -34.4 41.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -57.81 -56.64 19.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.758 HG12 HD12 ' A' ' 62' ' ' LEU . 69.0 t -60.68 -36.75 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -55.22 -57.09 13.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -72.75 -26.42 61.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -75.43 -24.65 70.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.758 HD12 HG12 ' A' ' 58' ' ' VAL . 5.2 mt -85.74 -59.57 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.767 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.96 -30.62 10.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 m -80.49 -27.79 37.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.1 t80 -90.8 -14.37 32.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.5 p -112.39 -30.1 7.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' LYS . 17.1 t30 69.31 34.19 3.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.555 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 4.0 t-105 -140.18 70.27 34.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 32.61 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.555 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 4.4 m -101.44 -56.59 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.5 m-85 55.48 162.41 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.02 168.35 77.7 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.996 -0.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.611 ' O ' HD22 ' A' ' 19' ' ' LEU . 5.9 mm-40 -132.93 152.73 51.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 75' ' ' TYR . 2.5 tp -114.03 117.07 30.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 60.0 m-85 -114.61 128.99 56.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 82' ' ' GLY . 3.9 tt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.642 ' O ' HG21 ' A' ' 86' ' ' ILE . 85.2 t -74.46 -43.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.728 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 129.41 163.91 11.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.29 -179.35 2.14 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 84' ' ' LEU . 2.0 tm? -53.93 -48.26 70.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -30.37 13.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.728 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.6 mt -84.44 -62.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.507 HG11 HD21 ' A' ' 40' ' ' LEU . 86.2 t -41.31 -63.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -49.16 11.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.76 -55.6 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.465 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.2 mm? -59.66 -64.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.727 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -41.28 -56.68 2.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.31 -56.5 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -55.4 -43.83 75.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.7 33.24 3.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -135.68 45.6 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 100' ' ' LEU . 6.0 tp -112.88 -38.83 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.5 tm? -53.4 -45.77 98.33 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -11.67 21.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.5 mm -92.39 -30.15 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.478 HD11 HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -82.95 -54.73 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.653 ' HE2' HG12 ' A' ' 45' ' ' VAL . 22.0 mmtt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.527 HD23 ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -48.12 -47.09 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 p -54.29 -40.43 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.702 HD11 ' CD1' ' A' ' 50' ' ' PHE . 42.8 tp -65.64 -48.78 71.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.521 ' CG2' HD21 ' A' ' 62' ' ' LEU . 39.8 p -65.29 -13.93 59.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -121.55 34.98 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -75.05 -64.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.47 162.25 13.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 t -43.71 -41.33 4.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.435 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 83.6 t -129.93 116.47 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.421 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -96.58 134.09 40.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.857 HD21 HD13 ' A' ' 36' ' ' ILE . 1.7 tm? -128.33 105.99 8.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 53.1 m-85 -97.14 120.09 36.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.416 ' CE ' ' HB2' ' A' ' 33' ' ' SER . 11.3 ptm -154.14 173.87 15.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.706 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -95.82 107.31 19.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.18 -29.08 5.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER 57.21 168.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.767 ' HG2' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -40.29 -36.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -55.84 -49.04 74.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ASN . 27.1 tt0 -126.94 124.56 39.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.449 ' O ' HG22 ' A' ' 36' ' ' ILE . 6.9 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.8 tptm -36.92 -38.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -45.49 -66.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.857 HD13 HD21 ' A' ' 19' ' ' LEU . 6.6 tt -49.5 -41.3 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.767 HD23 ' HG2' ' A' ' 25' ' ' LYS . 10.0 mp -60.61 -61.33 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -42.14 -46.1 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.715 HG23 ' HD3' ' A' ' 91' ' ' LYS . 26.3 mt -71.88 -47.7 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.81 -25.86 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -88.55 -46.98 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 m -44.88 -46.01 10.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.923 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.573 HG21 ' CD2' ' A' ' 100' ' ' LEU . 18.7 p -43.75 -35.74 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.63 -12.33 70.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.839 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.1 m -74.87 -174.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -110.64 141.58 43.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.435 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 11.7 p90 -150.7 175.86 11.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.63 170.13 16.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.8 p -125.46 157.86 35.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.702 ' CD1' HD11 ' A' ' 11' ' ' LEU . 92.7 t80 -139.25 164.69 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 2.4 p30 -95.83 120.7 36.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -96.4 -20.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -83.79 -61.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.67 -52.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.56 95.06 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.61 -56.08 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -39.16 -51.02 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 62' ' ' LEU . 90.6 t -57.03 -49.26 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.4 ttp180 -54.12 -67.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.18 -40.81 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.8 -24.89 75.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.521 HD21 ' CG2' ' A' ' 12' ' ' THR . 7.3 mt -76.58 -60.4 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -51.07 -35.81 36.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.5 m -76.07 -25.02 55.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.527 ' CD2' HD23 ' A' ' 8' ' ' LEU . 6.3 t80 -62.7 -40.39 97.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.502 ' HB3' HD22 ' A' ' 80' ' ' LEU . 14.9 m -122.54 12.27 10.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' LYS . 6.0 t-20 46.52 38.34 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.425 ' CG ' HD21 ' A' ' 80' ' ' LEU . 66.4 t-105 -130.06 79.35 73.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.29 9.1 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.8 m -84.31 100.99 11.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.522 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 13.4 m-85 -104.76 158.25 32.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.9 171.52 67.54 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.057 -0.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.489 ' OE1' ' CE2' ' A' ' 75' ' ' TYR . 4.8 pt20 -143.07 145.41 32.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -94.43 132.87 38.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.713 ' N ' HD13 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -122.78 127.02 48.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.556 HG23 HD12 ' A' ' 74' ' ' LEU . 42.1 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 66' ' ' SER . 4.5 tp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -54.69 -68.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.497 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.5 -164.42 33.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.22 -167.55 34.29 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD13 ' C ' ' A' ' 84' ' ' LEU . 2.3 tm? -46.6 -62.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.46 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -40.73 -35.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.497 HG21 ' HA3' ' A' ' 82' ' ' GLY . 0.9 OUTLIER -81.78 -66.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.505 HG13 HD21 ' A' ' 96' ' ' LEU . 74.8 t -40.23 -50.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -50.31 73.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.08 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.43 -58.35 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.496 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.0 mm? -54.21 -48.27 71.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.715 ' HD3' HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -52.26 -67.27 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -40.38 -61.43 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -50.89 -48.13 60.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.87 46.08 0.85 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -143.96 57.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.505 HD21 HG13 ' A' ' 87' ' ' VAL . 7.5 tp -130.3 -47.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.54 -46.26 95.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.99 -16.65 20.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 33.6 mm -86.37 -41.82 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.573 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -70.4 -51.54 28.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.839 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.4 mmpt? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.677 ' CD1' HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -44.14 -48.78 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' LYS . 5.4 p -52.89 -41.11 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.08 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.4 mt -60.87 -51.32 69.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.44 ' CG2' ' CD2' ' A' ' 62' ' ' LEU . 74.5 p -67.08 -11.1 56.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -124.82 25.15 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -76.72 -63.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.72 162.08 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.12 -41.89 68.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.584 HG13 HD13 ' A' ' 74' ' ' LEU . 53.1 t -123.39 106.24 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.534 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -93.17 142.95 26.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.795 HD21 HD13 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -142.33 112.29 6.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CD2' ' HB3' ' A' ' 50' ' ' PHE . 89.6 m-85 -110.54 115.44 29.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.472 ' SD ' ' CB ' ' A' ' 33' ' ' SER . 0.2 OUTLIER -146.28 178.82 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.826 ' HG3' HD11 ' A' ' 52' ' ' ILE . 18.2 mtmt -95.31 101.9 13.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.37 -34.14 1.93 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.94 168.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 5.6 mtmt -55.55 -31.62 62.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -44.19 -47.97 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -178.25 95.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB1' ' HE1' ' A' ' 21' ' ' MET . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.472 ' CB ' ' SD ' ' A' ' 21' ' ' MET . 16.4 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' SER . 9.2 tptt -37.43 -40.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -49.79 -64.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.795 HD13 HD21 ' A' ' 19' ' ' LEU . 3.5 tt -45.75 -42.16 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.707 HD12 HG22 ' A' ' 36' ' ' ILE . 9.1 mp -62.43 -52.11 64.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.52 -46.41 57.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mt -70.83 -48.24 58.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.737 HD11 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.95 -24.0 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.43 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 78.3 m-20 -86.86 -35.4 19.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -47.34 65.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -48.06 -32.93 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.0 21.28 67.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.746 HG12 ' HE2' ' A' ' 101' ' ' LYS . 18.8 m -96.73 -170.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -86.37 121.38 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 5.5 p90 -150.95 174.22 13.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.3 -177.55 6.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p -147.12 145.76 29.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 1.08 ' CE1' HD11 ' A' ' 11' ' ' LEU . 65.7 t80 -125.13 167.45 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.486 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -107.79 123.01 47.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.826 HD11 ' HG3' ' A' ' 22' ' ' LYS . 2.8 pt -95.46 -28.12 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.505 HD21 ' HG2' ' A' ' 22' ' ' LYS . 3.6 mt -67.17 -59.89 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.22 -64.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.64 96.78 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -41.5 82.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -47.38 -42.06 21.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.677 HG13 ' CD1' ' A' ' 8' ' ' LEU . 46.7 t -72.92 -46.5 52.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.415 ' CG ' ' HD2' ' A' ' 63' ' ' LYS . 20.9 ttp180 -43.33 -67.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 61' ' ' GLY . 4.7 pt20 -56.36 -35.07 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 60' ' ' GLN . . . -62.83 -63.9 4.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.66 ' HA ' HD21 ' A' ' 8' ' ' LEU . 16.7 mt -48.09 -53.3 16.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 67' ' ' ASN . 29.1 mtpt -50.4 -31.15 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.8 m -84.59 -48.03 9.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.42 -26.72 13.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 58.2 m -113.58 -30.62 6.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 66' ' ' SER . 37.1 t30 79.9 39.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.501 ' C ' ' H ' ' A' ' 70' ' ' THR . 1.2 t-105 -134.11 68.0 73.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.473 ' CB ' ' HE2' ' A' ' 63' ' ' LYS . 18.5 Cg_endo -74.96 34.78 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.501 ' H ' ' C ' ' A' ' 68' ' ' TRP . 7.9 m -111.98 -47.82 3.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.3 m-85 55.69 161.93 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 171.59 67.35 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.028 -0.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.435 ' NE2' ' CD2' ' A' ' 68' ' ' TRP . 1.8 mt-30 -143.99 133.85 23.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.747 HD23 HG22 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -104.25 152.78 21.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.723 ' N ' HD12 ' A' ' 74' ' ' LEU . 91.7 m-85 -139.59 139.39 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.496 HD13 ' CE1' ' A' ' 75' ' ' TYR . 6.4 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.415 HG21 HD21 ' A' ' 74' ' ' LEU . 61.1 t -45.88 -67.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.596 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 153.96 179.04 29.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.488 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -65.86 -165.73 1.7 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -66.32 -45.66 79.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.331 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -30.35 52.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.596 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -75.84 -67.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.747 HG22 HD23 ' A' ' 74' ' ' LEU . 82.0 t -40.52 -55.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -57.01 12.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -40.27 -50.97 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' LYS . 2.4 mm? -61.52 -67.78 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' LEU . 18.1 tptp -40.37 -49.92 2.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -53.15 -51.66 61.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -63.51 -42.18 98.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.91 42.87 2.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -145.85 56.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.6 tp -118.37 -40.11 2.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.7 tm? -53.66 -45.81 98.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.97 -10.32 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 111.025 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.0 mm -94.32 -31.79 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -80.09 -53.68 6.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.746 ' HE2' HG12 ' A' ' 45' ' ' VAL . 14.7 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 62' ' ' LEU . 12.2 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -47.27 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.8 p -47.27 -54.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.59 HD21 ' CE2' ' A' ' 50' ' ' PHE . 5.2 tp -53.73 -52.22 60.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.9 p -63.89 -12.4 36.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -126.68 28.66 5.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' VAL . 6.0 tttm -74.0 -57.13 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . . . -118.3 155.25 30.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -40.0 -53.43 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG13 HD13 ' A' ' 74' ' ' LEU . 79.0 t -118.1 111.4 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.44 ' HE1' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.98 145.34 24.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.021 HD21 HD13 ' A' ' 36' ' ' ILE . 1.1 tm? -146.85 105.83 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 96.8 m-85 -98.46 123.78 42.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 33' ' ' SER . 4.3 ptm -149.64 178.39 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.594 ' HA ' HD21 ' A' ' 53' ' ' LEU . 7.7 ptmt -102.92 123.66 46.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.43 -16.88 37.52 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 57.24 174.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 0.815 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE2' ' CE1' ' A' ' 47' ' ' TYR . 6.8 mtmt -46.56 -35.6 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -58.26 -63.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.81 123.38 46.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.461 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 2.9 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.553 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -80.76 -50.78 9.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -39.4 -58.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.021 HD13 HD21 ' A' ' 19' ' ' LEU . 7.6 tt -56.39 -40.97 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LYS . 8.1 mt -61.93 -45.52 93.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -56.18 -43.29 78.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.812 HG23 ' HE3' ' A' ' 91' ' ' LYS . 46.7 mt -74.94 -46.44 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -50.04 -23.6 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -91.62 -55.35 3.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.79 -40.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 p -44.99 -42.89 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.34 -2.13 67.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.819 HG12 ' HE3' ' A' ' 101' ' ' LYS . 13.0 m -83.47 -169.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.49 128.71 56.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.448 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 10.8 p90 -142.9 171.77 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . 3.5 mm-40 -144.57 167.88 21.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -127.49 163.75 23.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CE2' HD21 ' A' ' 11' ' ' LEU . 80.9 t80 -137.48 167.56 21.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.6 115.5 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -93.31 -27.08 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -64.4 -73.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.75 -68.86 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.89 89.11 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.8 -46.89 56.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.88 -42.64 5.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.484 HG13 ' CD2' ' A' ' 8' ' ' LEU . 79.5 t -78.73 -38.66 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -40.86 -45.35 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -91.77 -36.45 13.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -59.83 -30.67 69.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.566 ' HA ' HD13 ' A' ' 8' ' ' LEU . 1.4 mt -79.51 -67.38 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -39.72 -41.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 m -68.95 -45.34 70.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.0 t80 -46.9 -64.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -79.23 -30.02 43.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 66' ' ' SER . 40.6 t30 80.39 37.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.422 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 23.9 t-105 -138.35 79.01 31.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 0.66 8.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.1 m -82.59 64.54 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.521 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.1 m-85 -67.41 159.7 76.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.98 -176.69 18.58 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.028 -0.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -159.38 136.54 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.862 HD12 ' H ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -97.65 158.76 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.862 ' H ' HD12 ' A' ' 74' ' ' LEU . 5.9 m-85 -131.79 127.73 37.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.644 ' CG2' HG21 ' A' ' 81' ' ' VAL . 87.9 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.644 HG21 ' CG2' ' A' ' 76' ' ' VAL . 39.5 t -87.16 -61.64 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.594 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.47 -174.14 34.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.666 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -96.37 -141.36 11.94 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.14 -60.17 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.52 -33.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.594 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.1 mp -86.3 -66.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 83' ' ' GLY . 49.6 t -39.7 -58.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -50.09 -51.71 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 8.9 tt0 -42.46 -46.4 4.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.554 ' HB2' HD13 ' A' ' 96' ' ' LEU . 1.7 mm? -72.28 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.812 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -45.64 -66.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -42.11 -57.06 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 89' ' ' GLU . 61.0 m-20 -52.9 -40.72 63.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 91' ' ' LYS . . . 105.18 37.3 2.71 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -141.42 54.72 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 90' ' ' LEU . 7.0 tp -125.44 -43.96 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tm? -52.39 -46.08 94.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.03 -20.78 16.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.575 1.829 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -81.51 -40.54 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.472 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -71.35 -55.75 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.819 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.2 mmpt? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.804 ' CD2' HG13 ' A' ' 58' ' ' VAL . 21.8 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -51.38 -47.52 62.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.59 -32.36 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.532 HD11 ' CD1' ' A' ' 50' ' ' PHE . 33.1 tp -75.92 -45.53 34.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 8' ' ' LEU . 71.0 p -68.22 -12.91 61.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -115.98 23.75 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.89 158.83 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.462 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -44.27 -49.85 9.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 90.1 t -119.49 112.95 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.517 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.61 143.26 27.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.011 HD21 HD13 ' A' ' 36' ' ' ILE . 1.9 tm? -142.4 106.3 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 12' ' ' THR . 73.7 m-85 -97.93 104.89 16.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.1 ptm -127.95 164.51 22.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.775 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.3 OUTLIER -96.66 107.23 19.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.71 -19.08 4.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER 58.65 158.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.67 -30.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 24' ' ' ASN . 66.2 mm-40 -55.35 -62.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.62 145.46 48.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB2' ' HD2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HD2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -87.03 -43.17 12.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -61.51 -60.48 3.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.011 HD13 HD21 ' A' ' 19' ' ' LEU . 5.4 tt -41.48 -44.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.761 HD21 HG21 ' A' ' 49' ' ' THR . 6.7 mt -59.6 -62.17 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -46.43 -37.32 7.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.623 HG23 ' HD3' ' A' ' 91' ' ' LYS . 69.8 mt -73.15 -52.73 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.656 HD11 HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -52.55 -24.76 8.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.56 -45.24 9.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -46.02 26.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -41.82 -37.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.9 -4.5 71.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.908 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.7 m -81.7 -170.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 16' ' ' SER . 12.7 pt-20 -108.18 137.04 46.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.427 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 10.7 p90 -150.82 174.86 12.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -147.91 164.67 33.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.761 HG21 HD21 ' A' ' 37' ' ' LEU . 23.5 p -125.24 145.29 50.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 11' ' ' LEU . 86.4 t80 -119.73 167.14 12.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.506 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 15.3 p-10 -99.4 111.06 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.775 HD11 ' HB3' ' A' ' 22' ' ' LYS . 1.2 pp -90.88 -28.63 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.79 -68.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -39.13 -55.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.68 103.12 15.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.55 -45.65 17.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -48.72 -43.34 37.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.804 HG13 ' CD2' ' A' ' 8' ' ' LEU . 70.8 t -75.42 -33.45 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -53.14 -60.88 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.461 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 4.4 pt20 -70.77 -31.21 67.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.21 -44.2 94.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.61 HD12 HG12 ' A' ' 58' ' ' VAL . 5.4 mt -64.74 -65.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.76 -36.55 5.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.4 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 8.8 m -73.53 -35.88 65.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.9 t80 -51.69 -42.17 61.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -122.32 16.56 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.037 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' LYS . 21.8 t-20 42.22 37.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -129.51 82.68 66.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HA ' ' CB ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.0 -18.67 18.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.6 m -57.67 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.554 ' CD1' ' OE1' ' A' ' 73' ' ' GLN . 6.8 m-85 -95.18 163.31 22.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 178.32 35.21 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.005 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.554 ' OE1' ' CD1' ' A' ' 71' ' ' TYR . 18.3 mt-30 -139.3 134.03 32.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.894 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -100.63 135.31 42.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.894 ' N ' HD12 ' A' ' 74' ' ' LEU . 68.3 m-85 -129.74 136.47 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 75' ' ' TYR . 5.3 tt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.3 t -59.77 -59.63 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.468 ' N ' HD23 ' A' ' 80' ' ' LEU . . . 149.96 -158.58 27.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.44 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -103.73 -152.99 23.28 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.33 -59.93 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -41.63 -45.77 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.487 HG23 HD11 ' A' ' 90' ' ' LEU . 1.1 mp -65.28 -67.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.611 HG22 HD23 ' A' ' 74' ' ' LEU . 56.1 t -43.0 -55.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -56.58 17.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 18.6 tt0 -44.2 -67.15 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.487 HD11 HG23 ' A' ' 86' ' ' ILE . 2.4 mt -48.26 -60.9 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.623 ' HD3' HG23 ' A' ' 39' ' ' ILE . 4.3 tptp -45.34 -35.52 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 9.3 t0 -56.41 -65.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 90' ' ' LEU . 27.6 p30 -67.48 -19.26 65.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . 84.85 54.87 2.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -134.86 37.61 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 87' ' ' VAL . 4.6 tp -116.88 -38.24 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tm? -54.9 -45.01 99.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.02 -28.2 9.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.4 mm -76.34 -33.14 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.606 HD11 HD21 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -76.37 -61.06 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.364 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.908 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.637 HD21 HG13 ' A' ' 58' ' ' VAL . 10.8 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -45.37 -49.55 12.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.16 -39.18 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.83 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -67.3 -46.55 73.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -73.63 -5.56 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -128.22 18.87 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -57.47 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.74 176.83 4.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -59.99 -59.69 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.751 HG13 HD13 ' A' ' 74' ' ' LEU . 54.5 t -111.76 112.72 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.548 ' HE1' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -93.2 134.33 35.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.014 HD21 HD13 ' A' ' 36' ' ' ILE . 2.2 tm? -137.64 107.06 6.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 69.4 m-85 -98.1 124.87 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.4 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 3.5 ptt? -148.85 178.19 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.619 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -105.29 121.92 44.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 24' ' ' ASN . . . 120.65 -20.96 8.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 58.89 157.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HG3' HG21 ' A' ' 49' ' ' THR . 3.7 mtmt -42.92 -40.1 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -44.12 -51.26 8.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -137.13 133.33 35.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.4 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 1.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 2.4 tttp -75.81 -48.22 22.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.8 -70.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.014 HD13 HD21 ' A' ' 19' ' ' LEU . 4.1 tt -42.87 -41.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.23 -61.86 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -42.8 -38.6 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.014 HG23 ' HE3' ' A' ' 91' ' ' LYS . 5.3 mt -75.96 -51.0 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.668 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.84 -23.06 11.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.426 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 1.4 m-20 -92.95 -38.3 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -51.51 -25.96 7.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.67 HG21 HD23 ' A' ' 100' ' ' LEU . 3.2 p -67.19 -31.07 71.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.71 -7.69 68.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.432 1.083 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.805 HG12 ' HE3' ' A' ' 101' ' ' LYS . 27.7 m -71.89 -170.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.86 134.63 45.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.455 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 31.7 p90 -150.2 176.9 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.29 -176.78 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.483 HG21 ' HG3' ' A' ' 25' ' ' LYS . 27.3 p -143.05 163.98 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.83 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 83.6 t80 -145.6 167.13 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 12.0 t0 -102.25 124.88 48.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -101.68 -21.85 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -69.21 -67.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.54 -66.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.65 87.44 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' ARG . 18.7 mt-10 -63.84 -50.77 67.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -42.82 -44.82 4.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.637 HG13 HD21 ' A' ' 8' ' ' LEU . 85.1 t -67.72 -39.81 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' GLU . 49.9 ttt180 -46.37 -52.1 13.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 2.3 mt-30 -88.7 -23.34 23.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.501 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -70.67 -26.86 73.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.629 ' HG ' HD22 ' A' ' 8' ' ' LEU . 4.8 mt -88.11 -63.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -41.72 -36.62 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.8 m -70.49 -61.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -40.5 -59.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.1 OUTLIER -76.66 -29.48 56.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.4 t30 76.22 38.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.74 ' CB ' HD21 ' A' ' 80' ' ' LEU . 1.9 t-105 -152.44 95.02 3.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.48 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -38.33 103.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.483 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.5 m-85 -107.52 165.76 12.23 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HG2' HD12 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.01 -173.43 12.32 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.805 ' CD ' HD11 ' A' ' 80' ' ' LEU . 30.0 mt-30 -158.43 135.83 10.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.93 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -99.24 156.35 17.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.867 ' H ' HD12 ' A' ' 74' ' ' LEU . 1.5 m-85 -127.62 125.65 40.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 99' ' ' ILE . 70.1 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.805 HD11 ' CD ' ' A' ' 73' ' ' GLN . 33.5 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.93 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.7 m -44.82 -65.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.718 ' H ' HG23 ' A' ' 81' ' ' VAL . . . 143.05 -179.59 20.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -49.7 -178.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 85' ' ' ASP . 0.8 OUTLIER -62.14 -54.31 42.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.54 ' N ' HD13 ' A' ' 84' ' ' LEU . 22.5 m-20 -48.15 -35.19 11.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.647 HG22 ' N ' ' A' ' 87' ' ' VAL . 0.9 OUTLIER -64.58 -72.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.647 ' N ' HG22 ' A' ' 86' ' ' ILE . 72.0 t -40.42 -56.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -48.5 -49.29 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -45.67 -58.75 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.722 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.9 mm? -47.1 -40.2 14.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 1.014 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -66.27 -48.79 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.8 -45.96 81.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -69.51 -58.15 4.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.17 55.33 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 2.3 mt-10 -148.14 51.16 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.016 ' O ' HD22 ' A' ' 100' ' ' LEU . 4.1 tp -118.93 -63.54 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.7 HD13 ' HG3' ' A' ' 101' ' ' LYS . 2.1 tm? -48.57 -46.72 70.9 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.06 -9.41 20.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.779 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 8.9 mm -95.49 -38.03 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.016 HD22 ' O ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -76.72 -47.77 20.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.805 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.6 mmpt? . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.679 ' CD2' HG13 ' A' ' 58' ' ' VAL . 10.6 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -48.79 15.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -46.98 -42.68 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.511 HD21 ' CD1' ' A' ' 50' ' ' PHE . 39.4 tp -62.1 -62.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.415 ' CG2' HD21 ' A' ' 62' ' ' LEU . 44.0 p -53.68 -22.48 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -108.12 25.66 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -70.24 -59.16 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.57 167.35 10.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -54.86 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 90.8 t -120.34 118.48 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.1 mmm -102.6 150.68 23.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 36' ' ' ILE . 1.4 tm? -148.86 105.85 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.362 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -94.02 131.54 39.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.614 ' SD ' HD11 ' A' ' 37' ' ' LEU . 21.4 ptm -159.67 176.13 12.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -100.99 111.52 23.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 24' ' ' ASN . . . 133.17 -38.53 1.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.427 1.08 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER 77.21 164.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 0.726 . . . . 0.0 109.258 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -47.87 -45.16 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -43.2 -49.34 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.72 99.5 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.636 ' O ' HD13 ' A' ' 37' ' ' LEU . 11.2 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -64.46 -33.2 75.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -47.49 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 110.24 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.936 HD13 HD21 ' A' ' 19' ' ' LEU . 6.8 tt -40.64 -51.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 33' ' ' SER . 7.1 mp -48.3 -61.55 1.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -46.53 -47.76 19.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.969 HG23 ' HE2' ' A' ' 91' ' ' LYS . 22.8 mt -62.54 -47.04 94.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.762 HD11 HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -59.65 -22.56 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -92.15 -39.78 11.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.1 -45.92 61.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.958 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.488 HG21 HD23 ' A' ' 100' ' ' LEU . 3.3 p -47.0 -31.15 3.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.45 -21.92 29.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.566 HG12 ' HE2' ' A' ' 101' ' ' LYS . 20.0 m -55.95 -172.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 9.0 pt-20 -114.79 122.25 45.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 8.1 p90 -134.61 173.93 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -145.82 166.55 25.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.2 p -126.17 166.87 16.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.511 ' CD1' HD21 ' A' ' 11' ' ' LEU . 91.8 t80 -135.89 159.45 41.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -99.82 111.66 23.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -91.02 -22.71 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -62.57 -68.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -43.34 -69.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.65 95.86 8.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.93 -40.04 65.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -50.91 -43.64 59.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.679 HG13 ' CD2' ' A' ' 8' ' ' LEU . 85.1 t -66.69 -40.32 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -59.0 -49.75 76.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -75.13 -30.28 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.43 ' C ' ' CD1' ' A' ' 8' ' ' LEU . . . -73.51 -34.79 56.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.61 HD12 HG12 ' A' ' 58' ' ' VAL . 5.4 mt -68.96 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.86 -38.79 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.411 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 7.3 m -69.17 -24.05 64.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -88.53 -55.53 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 3.8 m -72.01 -29.64 64.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LYS . 9.3 t-20 74.61 33.31 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.413 ' NE1' ' O ' ' A' ' 70' ' ' THR . 28.5 t-105 -147.85 85.75 6.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 108.025 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -6.35 17.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.413 ' O ' ' NE1' ' A' ' 68' ' ' TRP . 4.2 m -82.9 81.31 8.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.484 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.8 m-85 -71.11 164.54 55.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.02 -173.98 13.31 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.003 0.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.453 ' O ' HD22 ' A' ' 19' ' ' LEU . 8.5 mt-30 -136.93 159.47 41.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -124.96 130.53 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.82 ' N ' HD13 ' A' ' 74' ' ' LEU . 94.1 m-85 -126.93 127.06 44.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.697 HG23 ' CD1' ' A' ' 74' ' ' LEU . 69.4 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.419 ' CG2' HD12 ' A' ' 74' ' ' LEU . 97.9 t -84.46 -60.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.654 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 163.01 -171.08 38.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.416 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -97.35 -165.42 32.26 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.729 HD23 ' HB ' ' A' ' 36' ' ' ILE . 2.1 tm? -53.54 -58.38 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.417 ' N ' HD13 ' A' ' 84' ' ' LEU . 15.8 m-20 -44.37 -36.71 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.654 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -76.75 -64.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 40' ' ' LEU . 70.0 t -41.87 -49.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -49.36 77.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -47.31 -52.9 14.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.699 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.7 mm? -59.34 -60.54 3.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.969 ' HE2' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -46.06 -58.41 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -44.11 -63.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -54.08 -36.78 63.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.2 37.98 3.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -134.38 52.19 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 90' ' ' LEU . 5.5 tp -129.66 -45.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 101' ' ' LYS . 2.1 tm? -52.9 -46.28 97.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.0 -9.4 20.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mm -94.02 -39.13 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.525 HD21 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -76.19 -48.23 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.644 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.608 HD22 ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.91 -42.3 26.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p -60.25 -35.21 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' LYS . 29.9 tp -68.12 -65.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.622 HG22 ' CE2' ' A' ' 20' ' ' PHE . 76.4 p -50.38 -22.07 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -109.84 32.57 4.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.1 tttm -73.77 -66.35 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.28 -178.81 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.14 -34.98 79.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG13 HD13 ' A' ' 74' ' ' LEU . 64.9 t -133.11 108.4 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.457 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.69 131.82 37.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.894 HD21 HD13 ' A' ' 36' ' ' ILE . 2.6 tm? -133.65 105.73 7.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.622 ' CE2' HG22 ' A' ' 12' ' ' THR . 84.5 m-85 -90.23 113.48 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.508 ' HE1' ' HB2' ' A' ' 28' ' ' ALA . 23.4 ptm -140.82 174.9 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.669 ' HA ' HD21 ' A' ' 53' ' ' LEU . 16.3 ptmt -115.64 134.11 55.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . 102.65 13.14 30.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 54.7 -179.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' CE ' ' OG1' ' A' ' 49' ' ' THR . 0.4 OUTLIER -67.27 -47.42 70.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -52.28 -62.12 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -79.56 104.95 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB2' ' HE1' ' A' ' 21' ' ' MET . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' GLN . 5.0 tptm -76.61 -51.37 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -37.59 -64.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.894 HD13 HD21 ' A' ' 19' ' ' LEU . 5.7 tt -48.56 -44.15 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' LYS . 3.6 mt -62.53 -61.92 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.9 -38.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.894 HG23 ' HE3' ' A' ' 91' ' ' LYS . 5.5 mt -78.24 -53.43 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.597 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -47.29 -30.0 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.496 ' OD1' ' CE2' ' A' ' 47' ' ' TYR . 3.0 m-20 -84.54 -35.97 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' ILE . 70.2 m -51.44 -45.73 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.741 HG21 HD23 ' A' ' 100' ' ' LEU . 18.2 p -48.44 -31.03 5.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.41 -7.19 61.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.757 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.1 m -73.64 -170.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -103.45 132.69 49.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CE2' ' OD1' ' A' ' 41' ' ' ASN . 8.9 p90 -143.37 173.8 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -149.65 175.47 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.498 ' OG1' ' CE ' ' A' ' 25' ' ' LYS . 39.9 p -134.77 154.55 51.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.422 ' CD1' HD11 ' A' ' 11' ' ' LEU . 89.6 t80 -128.79 166.77 18.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.37 99.56 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.35 -19.53 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.669 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -70.1 -65.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.86 -84.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.27 111.31 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -82.14 -51.58 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -46.38 -42.0 14.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.69 HG12 HD12 ' A' ' 62' ' ' LEU . 48.8 t -65.78 -41.1 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -59.83 -65.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.5 -39.66 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.31 -38.1 81.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.69 HD12 HG12 ' A' ' 58' ' ' VAL . 10.6 mt -70.53 -63.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.06 -31.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.2 m -81.71 -51.95 7.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.608 ' CD1' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -40.36 -33.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.659 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -113.43 -30.29 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 63' ' ' LYS . 34.0 t30 79.76 40.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.511 ' C ' ' H ' ' A' ' 70' ' ' THR . 8.6 t-105 -135.61 71.57 64.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 31.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 68' ' ' TRP . 99.2 m -97.99 -56.05 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.507 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.9 m-85 55.5 161.93 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.1 Cg_endo -75.04 164.58 88.06 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.973 0.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.708 ' NE2' HD11 ' A' ' 80' ' ' LEU . 2.8 mt-30 -137.69 154.67 49.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -113.22 140.2 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.651 ' N ' HD12 ' A' ' 74' ' ' LEU . 13.1 m-85 -124.93 130.73 52.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.708 HD11 ' NE2' ' A' ' 73' ' ' GLN . 4.4 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.444 ' CG2' ' HG ' ' A' ' 74' ' ' LEU . 18.5 t -74.71 -63.08 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.708 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 148.39 -179.32 25.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.1 -173.5 20.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 35' ' ' GLN . 33.7 tp -57.1 -52.73 64.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.23 -36.16 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.708 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -74.33 -64.47 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.407 ' N ' HG22 ' A' ' 86' ' ' ILE . 78.9 t -43.11 -59.9 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -54.41 6.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -44.37 -57.01 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.611 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.3 mm? -55.32 -55.92 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.894 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.08 -55.59 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.2 -54.92 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -54.5 -54.2 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.71 36.99 0.93 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 0.9 OUTLIER -140.29 51.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.263 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' A' ' 90' ' ' LEU . 5.5 tp -122.6 -42.55 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.612 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.0 tm? -52.78 -45.96 96.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.02 -19.92 17.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 38.6 mm -82.54 -39.95 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.741 HD23 HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -72.8 -54.48 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.757 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.77 HD21 ' HA ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.34 -46.8 4.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' LYS . 8.1 p -56.21 -47.7 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.88 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 1.7 mt -48.59 -57.78 5.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 p -60.51 -21.33 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -115.99 34.14 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -86.83 -55.34 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -117.22 155.77 28.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -38.98 -62.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.412 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 98.7 t -111.2 117.56 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.734 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -98.45 141.95 30.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.879 HD21 HD13 ' A' ' 36' ' ' ILE . 1.5 tm? -143.16 104.27 4.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 95.0 m-85 -93.2 131.01 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.4 ptm -146.76 178.8 8.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.863 ' CG ' HD11 ' A' ' 52' ' ' ILE . 19.9 mttp -109.65 105.33 14.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 24' ' ' ASN . . . 130.73 -33.37 2.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER 79.06 160.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -32.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -48.39 -56.46 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -137.09 133.13 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.798 ' HB1' ' OG ' ' A' ' 33' ' ' SER . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.798 ' OG ' ' HB1' ' A' ' 28' ' ' ALA . 11.1 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' N ' ' OG ' ' A' ' 33' ' ' SER . 5.9 pttp -38.68 -40.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -43.64 -61.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.879 HD13 HD21 ' A' ' 19' ' ' LEU . 6.2 tt -53.24 -38.94 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.674 HD12 ' CG2' ' A' ' 36' ' ' ILE . 9.3 mp -64.06 -49.18 73.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.84 -40.02 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.576 HG23 ' CE ' ' A' ' 91' ' ' LYS . 24.3 mt -73.42 -50.06 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.655 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -51.35 -22.56 2.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -90.04 -40.67 12.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.15 -44.44 21.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 100' ' ' LEU . 4.8 p -48.87 -49.54 39.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.87 -18.03 22.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 101' ' ' LYS . 34.2 m -65.6 -179.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -113.09 122.7 48.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 47' ' ' TYR . 4.8 p90 -128.94 171.08 12.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -139.33 164.89 28.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.6 p -124.16 156.4 36.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.39 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.88 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 86.7 t80 -130.05 167.71 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 14.5 t0 -105.82 115.19 29.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.863 HD11 ' CG ' ' A' ' 22' ' ' LYS . 2.6 pt -91.36 -30.46 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -55.13 -64.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.16 55.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.665 ' OD1' HG23 ' A' ' 58' ' ' VAL . 2.1 t0 173.95 49.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.73 -39.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -55.99 -50.34 71.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.665 HG23 ' OD1' ' A' ' 55' ' ' ASP . 54.7 t -67.71 -37.05 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -58.76 -52.39 65.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.471 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 8.3 pt20 -73.31 -36.11 66.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.8 -38.57 96.35 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.77 ' HA ' HD21 ' A' ' 8' ' ' LEU . 7.5 mt -69.59 -66.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -42.45 -44.94 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.7 m -65.82 -40.8 92.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.9 t80 -45.77 -56.03 5.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.517 ' HB3' HD22 ' A' ' 80' ' ' LEU . 17.0 m -110.34 19.55 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.1 m120 40.58 43.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.507 ' C ' ' H ' ' A' ' 70' ' ' THR . 52.5 t-105 -127.05 73.64 76.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.001 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HA ' ' CB ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.05 29.68 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.507 ' H ' ' C ' ' A' ' 68' ' ' TRP . 80.9 p -121.36 92.62 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.608 ' CE2' HD13 ' A' ' 52' ' ' ILE . 4.9 m-85 -82.67 163.3 52.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.95 -174.97 15.05 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.027 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -136.15 157.24 47.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -128.25 136.1 50.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.731 ' N ' HD13 ' A' ' 74' ' ' LEU . 63.3 m-85 -128.22 127.16 42.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.549 HG23 HD12 ' A' ' 74' ' ' LEU . 96.1 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 66' ' ' SER . 1.7 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.421 HG21 ' CG2' ' A' ' 76' ' ' VAL . 79.7 t -97.57 -56.35 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.622 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 150.85 -169.92 30.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.55 -167.95 32.52 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.517 HD13 ' C ' ' A' ' 84' ' ' LEU . 3.1 tm? -45.84 -63.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -39.74 -37.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.622 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -79.06 -67.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.568 HG22 ' HG ' ' A' ' 74' ' ' LEU . 75.6 t -40.04 -53.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -52.7 58.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -42.19 -50.47 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.556 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.9 mm? -62.56 -62.78 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.576 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -45.86 -61.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.75 -61.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -52.88 -30.15 32.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' LYS . . . 91.28 44.08 4.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -140.24 45.96 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.556 HD13 ' HB2' ' A' ' 90' ' ' LEU . 5.0 tp -123.88 -42.31 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.42 -46.03 98.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.01 -12.16 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.3 mm -87.19 -39.45 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.698 HD13 ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -80.3 -52.78 7.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.515 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.689 HD12 HG13 ' A' ' 58' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.06 -40.6 45.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' LYS . 2.6 p -65.11 -37.17 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.683 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 2.3 mt -59.26 -41.75 89.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 8' ' ' LEU . 28.4 p -72.61 -41.65 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.524 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 12.4 p30 -93.5 21.96 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' VAL . 3.9 ttmt -69.03 -61.38 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.716 ' HB3' ' HG2' ' A' ' 48' ' ' GLU . . . -113.4 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -49.84 69.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.8 t -120.48 111.21 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -96.54 138.08 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.043 HD21 HD13 ' A' ' 36' ' ' ILE . 2.3 tm? -137.73 105.59 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 96.4 m-85 -98.46 113.52 25.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.451 ' CE ' ' O ' ' A' ' 22' ' ' LYS . 12.2 ptm -141.19 178.54 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -102.36 117.72 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.69 -23.47 11.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 60.38 -179.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.692 ' HG3' HG21 ' A' ' 49' ' ' THR . 12.8 mtmt -58.84 -40.73 85.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' LYS . 81.8 mm-40 -38.64 -44.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.64 140.4 14.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.513 ' O ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -48.13 -32.55 7.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . 45.3 mm-40 -53.39 -71.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.043 HD13 HD21 ' A' ' 19' ' ' LEU . 4.6 tt -38.95 -41.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.577 HD12 ' CG2' ' A' ' 36' ' ' ILE . 9.3 mp -62.49 -56.68 15.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.91 -45.75 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.832 HG23 ' HE3' ' A' ' 91' ' ' LYS . 13.2 mt -71.92 -48.82 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.61 HD11 ' CD2' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -54.51 -30.12 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -88.65 -26.77 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -60.94 -30.23 70.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 100' ' ' LEU . 24.4 p -67.18 -29.47 69.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.8 17.23 73.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.732 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.8 m -97.66 174.98 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' N ' ' CD ' ' A' ' 46' ' ' GLU . 18.0 mp0 -72.21 131.01 42.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.487 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 7.1 p90 -151.42 168.72 23.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.716 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 7.6 pt-20 -144.14 -177.3 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.692 HG21 ' HG3' ' A' ' 25' ' ' LYS . 2.3 p -148.64 142.0 25.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.683 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 74.2 t80 -123.84 167.24 14.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -105.99 112.77 25.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.74 -26.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -60.44 -71.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.74 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.16 89.96 1.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.17 -57.78 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 61' ' ' GLY . 4.5 mt-10 -39.07 -54.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.689 HG13 HD12 ' A' ' 8' ' ' LEU . 69.6 t -54.84 -50.32 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -28.33 61.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -91.1 -17.8 25.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . -97.24 -16.28 35.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.632 ' HA ' HD21 ' A' ' 8' ' ' LEU . 5.5 mt -83.92 -25.99 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 69' ' ' PRO . 3.0 pttt -79.33 -36.42 39.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 m -79.68 -11.93 59.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -73.84 -44.92 54.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.706 ' CB ' HD22 ' A' ' 80' ' ' LEU . 26.0 m -122.33 15.56 10.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 48.26 34.53 4.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.48 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 5.1 t-105 -128.14 84.31 63.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.992 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.07 -4.29 15.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.48 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 29.6 m -78.73 128.46 33.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.494 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.7 m-85 -122.09 163.55 31.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.586 ' HG2' HD12 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.93 172.95 60.34 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.042 -0.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.422 ' NE2' ' CD1' ' A' ' 68' ' ' TRP . 3.5 mt-30 -127.06 145.96 50.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.719 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -106.44 126.58 52.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.719 ' N ' HD13 ' A' ' 74' ' ' LEU . 25.3 m-85 -123.82 133.21 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.706 HD22 ' CB ' ' A' ' 66' ' ' SER . 4.8 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.416 ' CG2' HD12 ' A' ' 74' ' ' LEU . 94.5 t -59.43 -66.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.408 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 151.35 -173.8 30.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.446 1.091 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.29 -174.58 35.16 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.2 tm? -54.21 -48.13 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.79 -35.63 23.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.605 HG23 HD11 ' A' ' 90' ' ' LEU . 1.1 mp -77.56 -62.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.433 HG11 HD21 ' A' ' 40' ' ' LEU . 84.7 t -41.94 -54.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.5 -58.95 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.1 tp10 -44.89 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.605 HD11 HG23 ' A' ' 86' ' ' ILE . 1.2 mt -40.96 -54.66 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.832 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.76 -42.22 71.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' GLU . 16.0 t0 -60.22 -45.48 93.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.42 -35.31 73.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.04 24.21 7.75 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.23 53.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.803 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.3 tp -131.95 -45.4 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.29 -46.26 94.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -14.95 21.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.547 1.814 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.22 -40.57 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -72.13 -51.16 22.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.732 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.673 ' CD1' HG13 ' A' ' 58' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -42.36 -44.41 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 11' ' ' LEU . 13.0 p -63.67 -49.91 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.876 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.2 mt -51.24 -68.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.545 HG22 HD21 ' A' ' 62' ' ' LEU . 59.2 p -43.47 -29.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.423 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' VAL . 48.3 m-20 -117.19 50.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.604 ' HD3' HD23 ' A' ' 11' ' ' LEU . 19.0 ttpt -92.62 -58.51 2.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 48' ' ' GLU . . . -105.39 168.81 8.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -50.07 -48.06 53.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.47 HG12 ' HB2' ' A' ' 47' ' ' TYR . 41.7 t -125.02 117.5 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -99.21 135.59 40.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 36' ' ' ILE . 1.3 tm? -135.52 115.25 12.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 91.8 m-85 -109.1 125.73 52.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.541 ' HE3' ' HB3' ' A' ' 33' ' ' SER . 4.4 ptm -149.61 175.57 11.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -97.14 117.79 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 27' ' ' GLU . . . 111.82 -23.05 17.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.425 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.7 OUTLIER 63.16 173.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' ASN . 3.8 mtmt -40.64 -29.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' N ' ' C ' ' A' ' 24' ' ' ASN . 23.0 mt-30 -60.32 -75.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HB2' ' CA ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -72.72 147.0 46.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.541 ' HB3' ' HE3' ' A' ' 21' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.882 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 5.3 tptm -62.71 -47.41 83.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' GLU . 2.7 mm-40 -42.46 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.936 HD13 HD21 ' A' ' 19' ' ' LEU . 3.5 tt -41.11 -40.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.496 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 1.5 mt -61.34 -49.54 76.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' GLN . 2.2 mt-10 -59.79 -39.81 86.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.909 HG23 ' HE2' ' A' ' 91' ' ' LYS . 21.8 mt -70.31 -49.2 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.613 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -52.8 -21.98 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -89.42 -44.98 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -42.87 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.514 HG21 HD23 ' A' ' 100' ' ' LEU . 2.2 p -44.69 -40.03 5.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.48 -3.64 63.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.83 HG12 ' HE3' ' A' ' 101' ' ' LYS . 19.1 m -83.92 -172.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.83 131.04 56.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 6.7 p90 -138.85 168.11 20.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . 6.3 mm-40 -136.01 159.52 41.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 5.7 p -119.91 166.59 13.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.876 ' CE1' HD11 ' A' ' 11' ' ' LEU . 84.1 t80 -144.63 167.47 22.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.426 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 1.4 p-10 -100.88 117.63 35.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.721 HD13 ' CE2' ' A' ' 71' ' ' TYR . 1.2 pt -94.7 -31.8 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -57.52 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.76 -66.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.16 73.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.41 -48.61 80.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -44.94 -42.16 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.673 HG13 ' CD1' ' A' ' 8' ' ' LEU . 67.2 t -66.77 -47.78 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -69.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 61' ' ' GLY . 1.2 pp0? -52.36 -50.66 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' OE1' ' A' ' 60' ' ' GLN . . . -59.5 -14.67 28.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.545 HD21 HG22 ' A' ' 12' ' ' THR . 5.1 mt -92.02 -67.79 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.454 ' O ' ' CA ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -44.14 -38.46 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -74.19 -37.07 64.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CD2' HD23 ' A' ' 8' ' ' LEU . 15.7 t80 -43.1 -45.57 5.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.686 ' HB3' HD22 ' A' ' 80' ' ' LEU . 21.3 m -122.36 7.24 9.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' CA ' ' O ' ' A' ' 63' ' ' LYS . 6.5 t30 54.42 37.34 27.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.51 ' C ' ' H ' ' A' ' 70' ' ' THR . 29.3 t-105 -126.63 79.56 71.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.043 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 30.41 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.51 ' H ' ' C ' ' A' ' 68' ' ' TRP . 1.8 m -114.05 93.65 4.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CE2' HD13 ' A' ' 52' ' ' ILE . 14.8 m-85 -81.32 162.24 59.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.96 -175.28 15.68 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.998 -0.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -136.88 126.92 26.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -110.01 130.02 55.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.982 ' N ' HD12 ' A' ' 74' ' ' LEU . 49.1 m-85 -128.57 132.37 48.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 66' ' ' SER . 12.0 tp . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.2 t -41.16 -73.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.467 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 150.69 178.68 25.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.5 -164.37 1.21 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.7 tm? -62.11 -57.31 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.403 ' N ' HD13 ' A' ' 84' ' ' LEU . 2.7 m-20 -40.94 -41.34 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -68.0 -68.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.655 HG22 HD23 ' A' ' 74' ' ' LEU . 72.9 t -44.31 -53.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -52.78 -56.94 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ASP . 18.2 tt0 -45.18 -68.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.618 ' HB2' HD13 ' A' ' 96' ' ' LEU . 1.4 mt -44.67 -53.35 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.909 ' HE2' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -53.72 -35.89 61.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 89' ' ' GLU . 17.6 t70 -67.46 -52.82 34.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -61.46 -43.28 99.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.85 29.86 3.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.13 52.83 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 90' ' ' LEU . 7.0 tp -131.81 -48.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.0 tm? -53.42 -46.04 98.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.97 -13.36 21.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.9 mm -89.02 -43.86 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.578 HD13 ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -69.8 -49.23 54.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.83 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.8 mmpt? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.777 ' CD1' HG13 ' A' ' 58' ' ' VAL . 1.7 tp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -47.33 10.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 33.0 t -60.98 -37.53 77.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.968 HD11 ' CE1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -61.93 -53.91 49.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 12' ' ' THR . 19.9 p -68.65 -11.57 60.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -117.57 17.28 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' VAL . 2.4 ttmt -73.02 -61.36 1.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.471 ' HB2' ' HG3' ' A' ' 48' ' ' GLU . . . -112.38 148.06 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.77 -48.92 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.962 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 t -113.62 107.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.44 124.74 39.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.887 HD11 HG21 ' A' ' 36' ' ' ILE . 1.8 tm? -118.27 106.01 12.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 42.1 m-85 -101.07 108.04 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.861 ' CE ' ' HB2' ' A' ' 28' ' ' ALA . 3.1 ptt? -136.4 178.68 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.708 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -104.75 107.81 18.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.78 -29.83 2.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.25 156.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HG3' HG21 ' A' ' 49' ' ' THR . 12.7 mtmt -40.1 -37.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -39.94 -41.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 169.49 165.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.861 ' HB2' ' CE ' ' A' ' 21' ' ' MET . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.456 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 5.5 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.691 ' HD2' ' HB3' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -66.09 -48.26 71.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -46.55 -65.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.887 HG21 HD11 ' A' ' 19' ' ' LEU . 1.3 tt -41.96 -44.11 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD12 ' SD ' ' A' ' 21' ' ' MET . 1.5 mt -65.27 -48.45 73.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.98 -34.48 63.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.664 HG23 ' CE ' ' A' ' 91' ' ' LYS . 44.1 mt -80.47 -50.26 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.646 HD11 HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -50.05 -23.49 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -28.29 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -74.01 -3.04 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.957 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.446 ' C ' ' H ' ' A' ' 45' ' ' VAL . 39.4 p -134.4 84.52 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 45' ' ' VAL . . . -73.14 10.35 5.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 46' ' ' GLU . 2.3 m -55.71 -165.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' N ' HG23 ' A' ' 45' ' ' VAL . 3.6 mt-10 -78.86 109.97 13.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -151.03 178.44 9.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 2.2 mt-10 -162.05 175.84 11.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.532 HG21 ' HG3' ' A' ' 25' ' ' LYS . 2.9 p -136.72 138.87 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.968 ' CE1' HD11 ' A' ' 11' ' ' LEU . 83.6 t80 -121.11 165.58 15.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -109.94 115.44 29.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -87.95 -15.73 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -74.22 -65.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -45.77 -70.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -78.3 87.29 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.26 -35.72 81.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.55 -55.25 36.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 8' ' ' LEU . 78.9 t -54.12 -46.01 66.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -53.95 -70.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -54.32 -35.52 62.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.438 ' C ' HD21 ' A' ' 8' ' ' LEU . . . -73.8 -12.7 80.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' PHE . 5.0 mt -92.55 -62.52 1.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -44.81 -36.4 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.8 m -75.6 -37.35 59.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.693 ' CD2' HD23 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -53.99 -37.29 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' ASN . 3.5 m -122.39 13.68 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.039 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' LYS . 44.0 t30 39.9 39.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.463 ' CE2' ' HB ' ' A' ' 70' ' ' THR . 24.0 t-105 -130.71 77.64 75.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.55 7.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.804 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.463 ' HB ' ' CE2' ' A' ' 68' ' ' TRP . 23.4 m -76.35 89.23 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.514 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 26.1 m-85 -86.99 157.17 54.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.817 ' HG2' HD12 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.07 167.23 81.07 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.982 0.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.728 HE21 HD13 ' A' ' 80' ' ' LEU . 29.1 tt0 -133.56 116.95 16.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.76 HD11 HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -94.13 149.81 20.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.565 ' H ' HD12 ' A' ' 74' ' ' LEU . 9.5 m-85 -132.85 126.8 33.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.76 HG23 HD11 ' A' ' 74' ' ' LEU . 26.5 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.728 HD13 HE21 ' A' ' 73' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.0 t -72.8 -63.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.549 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.55 -169.27 34.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.469 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -96.52 -162.45 32.69 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD2' HD12 ' A' ' 39' ' ' ILE . 1.7 tm? -56.65 -56.03 26.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -36.46 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.605 HG22 ' N ' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -72.93 -70.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.605 ' N ' HG22 ' A' ' 86' ' ' ILE . 73.3 t -40.31 -58.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -53.17 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -48.33 -69.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.57 ' H ' HD22 ' A' ' 90' ' ' LEU . 2.6 mm? -42.17 -57.03 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.664 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -50.11 -45.89 53.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -65.09 -64.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -44.05 -43.56 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.95 40.73 1.94 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -141.82 50.4 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.784 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.516 ' HG ' HD22 ' A' ' 100' ' ' LEU . 7.5 tp -117.51 -43.15 2.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.48 -45.61 98.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.06 -36.55 2.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.37 -37.37 79.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.516 HD22 ' HG ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -76.84 -60.94 2.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.427 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 p -65.35 98.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 110.003 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 p -55.15 114.06 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.61 134.21 3.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t 60.91 86.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -110.84 95.54 5.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.83 65.66 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.783 HD21 HG13 ' A' ' 58' ' ' VAL . 10.7 mt -92.53 -59.96 1.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.63 -48.99 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 11' ' ' LEU . 8.4 p -53.21 -48.48 54.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.975 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 1.6 mt -54.2 -55.43 28.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.8 p -63.95 -16.79 62.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -115.18 25.93 10.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 10' ' ' VAL . 13.1 ttpt -78.69 -57.2 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.59 152.81 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 m -40.64 -52.91 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 91.4 t -118.32 112.87 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -99.02 141.03 32.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 36' ' ' ILE . 1.5 tm? -139.81 104.96 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.603 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 44.6 m-85 -95.26 127.2 41.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.9 ptm -161.54 169.63 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.925 ' HB2' HD11 ' A' ' 53' ' ' LEU . 1.5 ptmm? -86.55 113.44 22.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.84 -31.88 6.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.498 HD21 ' N ' ' A' ' 51' ' ' ASP . 1.5 m-20 56.0 171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG2' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -38.99 -30.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 24' ' ' ASN . 46.4 mm-40 -55.33 -63.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -114.19 145.54 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . -158.28 121.25 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.2 -42.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 108.291 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' SER . . . -124.75 168.25 16.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.423 1.077 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.71 -65.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.658 ' O ' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.82 -54.25 7.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.628 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 25.9 tttt -69.7 -32.83 71.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.2 mm100 -48.18 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.003 HD13 HD21 ' A' ' 19' ' ' LEU . 10.1 tt -39.36 -49.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.658 HD13 ' O ' ' A' ' 33' ' ' SER . 6.7 mp -51.67 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -38.69 -38.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.926 HG23 ' HE3' ' A' ' 91' ' ' LYS . 28.6 mt -73.47 -50.55 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 19' ' ' LEU . 1.1 mt -55.93 -24.59 38.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -93.1 -50.45 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.5 m -44.04 -32.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 39' ' ' ILE . 2.6 p -55.88 -47.14 77.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.11 -8.55 42.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.622 HG12 ' HE3' ' A' ' 101' ' ' LYS . 16.7 m -75.6 -171.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -107.31 134.52 50.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.467 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 15.3 p90 -150.95 174.68 12.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -147.91 173.08 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.2 p -127.37 164.52 21.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.975 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 74.8 t80 -146.27 162.73 37.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.498 ' N ' HD21 ' A' ' 24' ' ' ASN . 1.3 p30 -96.33 129.19 43.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.41 -18.83 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.925 HD11 ' HB2' ' A' ' 22' ' ' LYS . 4.5 mt -82.52 -63.73 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.36 -44.79 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.09 80.12 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.1 -52.86 57.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -40.74 -47.53 2.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.783 HG13 HD21 ' A' ' 8' ' ' LEU . 87.5 t -63.99 -45.44 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -40.21 -66.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -74.12 -30.97 62.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.509 ' C ' HD11 ' A' ' 8' ' ' LEU . . . -60.33 -28.63 67.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.604 ' HG ' HD22 ' A' ' 8' ' ' LEU . 6.8 mt -86.03 -59.0 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.93 -39.09 39.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 m -71.03 -23.62 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.1 t80 -88.94 -50.12 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.623 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -77.55 -30.21 52.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 63' ' ' LYS . 8.2 t-20 74.22 33.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.439 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 18.2 t-105 -147.64 83.36 7.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 107.997 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.43 8.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 70' ' ' THR . 3.1 m -84.45 62.6 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.386 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.486 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.7 m-85 -52.45 165.04 0.56 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.02 -174.64 14.5 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.957 0.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 18.6 mt-30 -141.51 137.66 32.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.823 HD23 HG22 ' A' ' 87' ' ' VAL . 3.3 tp -114.16 133.53 55.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.644 ' N ' HD12 ' A' ' 74' ' ' LEU . 72.4 m-85 -118.88 127.45 53.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.446 HG11 ' O ' ' A' ' 99' ' ' ILE . 94.2 t -135.46 142.94 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 67.05 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -174.05 -38.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -82.32 147.55 28.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.623 HD22 ' OG ' ' A' ' 66' ' ' SER . 5.5 tp -62.35 130.11 43.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG21 ' CG2' ' A' ' 76' ' ' VAL . 71.2 t -79.05 -61.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.643 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.19 -166.01 33.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 86' ' ' ILE . . . -101.73 -179.09 28.13 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 84' ' ' LEU . 3.0 tm? -41.78 -59.83 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -43.1 -42.5 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.643 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -73.44 -63.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.823 HG22 HD23 ' A' ' 74' ' ' LEU . 89.8 t -41.93 -62.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.61 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -46.01 -45.46 15.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -46.48 -61.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.5 ' H ' HD22 ' A' ' 90' ' ' LEU . 3.3 mm? -52.12 -62.44 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.926 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -43.2 -58.92 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.85 -56.35 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -54.55 -41.57 69.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.82 39.69 2.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -141.3 49.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.478 ' CD2' HD21 ' A' ' 100' ' ' LEU . 6.0 tp -119.71 -40.21 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.627 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tm? -53.76 -45.31 98.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.98 -16.47 20.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.446 ' O ' HG11 ' A' ' 76' ' ' VAL . 17.3 mm -87.38 -35.25 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.478 HD21 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -76.18 -54.87 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.622 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.6 mmpt? -40.89 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.31 80.59 1.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.6 141.39 58.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.238 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.48 145.91 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.12 162.48 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.21 39.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.3 t -104.35 -58.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.3 p -95.73 -58.46 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.89 97.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -152.02 105.05 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.6 -175.6 15.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -169.39 -57.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -102.68 91.13 4.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' CA ' ' CG1' ' A' ' 10' ' ' VAL . . . -75.01 78.56 1.06 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -90.47 -65.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -47.64 -36.2 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.445 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 2.7 p -69.91 -37.53 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.974 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.4 mt -61.77 -40.1 93.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 9' ' ' LYS . 78.9 p -71.18 -32.97 69.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.544 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 24.5 p30 -101.46 19.71 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -64.32 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.62 164.6 13.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -63.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' CG1' HD13 ' A' ' 40' ' ' LEU . 56.8 t -108.96 111.29 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.523 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.82 138.15 32.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.945 HD21 HD13 ' A' ' 36' ' ' ILE . 1.9 tm? -139.16 104.66 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 62' ' ' LEU . 84.5 m-85 -94.21 124.93 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 3.9 ptm -159.86 173.44 15.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.961 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -91.48 116.51 28.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.59 -28.02 7.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.44 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 56.68 164.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.24 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -40.61 -29.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.44 ' N ' ' C ' ' A' ' 24' ' ' ASN . 73.4 mm-40 -55.29 -63.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.03 140.3 49.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.708 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . -125.08 -176.12 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -113.89 -35.74 5.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 1.5 t 87.29 82.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.53 -48.77 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -134.54 -49.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.471 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 14.2 m -61.33 -42.73 99.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.708 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 8.2 tttp -84.0 -41.08 17.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -71.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.945 HD13 HD21 ' A' ' 19' ' ' LEU . 7.7 tt -42.09 -44.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD21 ' CG2' ' A' ' 49' ' ' THR . 6.1 mt -59.93 -57.72 11.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.5 -37.38 17.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.713 HG23 ' CE ' ' A' ' 91' ' ' LYS . 10.2 mt -75.73 -48.73 28.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.648 HD11 HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -54.12 -25.1 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.53 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 3.3 m-20 -86.82 -35.78 18.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.7 -44.71 58.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.632 HG21 HD23 ' A' ' 100' ' ' LEU . 9.2 p -50.43 -30.8 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.1 -2.99 67.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.757 HG12 ' HE3' ' A' ' 101' ' ' LYS . 22.4 m -75.27 -172.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.9 126.65 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.543 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 25.2 p90 -143.6 177.44 8.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -158.61 -178.25 7.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.475 ' CG2' HD21 ' A' ' 37' ' ' LEU . 34.2 p -137.28 166.13 24.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.974 ' CE1' HD11 ' A' ' 11' ' ' LEU . 82.4 t80 -148.08 163.52 36.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.524 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -94.87 124.48 38.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.805 HD13 ' CE2' ' A' ' 71' ' ' TYR . 1.1 pp -101.01 -10.79 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' A' ' 22' ' ' LYS . 5.1 mt -90.26 -68.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -38.69 -40.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 95.89 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.37 -49.7 46.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -43.54 -54.45 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 78.9 t -56.0 -42.87 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.4 ttt-85 -59.25 -56.34 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -67.02 -12.12 58.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.31 -45.22 4.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 20' ' ' PHE . 17.3 mt -67.04 -56.08 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.97 -36.73 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.3 m -77.43 -56.86 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -37.61 -47.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.773 ' OG ' HD22 ' A' ' 80' ' ' LEU . 1.3 t -95.7 -29.34 14.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 66' ' ' SER . 49.1 t30 79.48 36.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.357 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.464 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 1.8 t-105 -147.34 92.33 4.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.61 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.464 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 3.0 m -40.77 98.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.805 ' CE2' HD13 ' A' ' 52' ' ' ILE . 13.6 m-85 -85.84 162.87 45.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -75.0 -173.35 12.17 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.06 -2.475 . . . . 0.0 111.02 0.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 68' ' ' TRP . 0.5 OUTLIER -145.06 126.31 14.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.675 HD23 HG22 ' A' ' 87' ' ' VAL . 1.6 tp -103.43 138.08 40.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.594 ' N ' HD12 ' A' ' 74' ' ' LEU . 42.4 m-85 -128.22 132.1 48.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.513 HG21 ' HA ' ' A' ' 100' ' ' LEU . 2.3 p -126.75 154.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -37.2 -49.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.93 -106.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.25 159.04 37.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.773 HD22 ' OG ' ' A' ' 66' ' ' SER . 0.7 OUTLIER -47.92 127.33 11.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.01 -63.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.547 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 153.07 -163.4 30.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.71 172.06 43.94 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.567 HD23 ' CB ' ' A' ' 36' ' ' ILE . 1.4 tm? -44.49 -53.08 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -48.62 -47.66 39.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.547 HG21 ' HA3' ' A' ' 82' ' ' GLY . 6.1 mt -65.76 -58.64 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.675 HG22 HD23 ' A' ' 74' ' ' LEU . 83.0 t -45.3 -60.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.33 -45.89 46.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -46.76 -64.37 0.79 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.9 mm? -51.16 -63.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.713 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -42.75 -47.86 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -54.87 -54.98 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.81 -35.64 77.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.63 43.02 2.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -142.95 52.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.493 ' CD2' HD21 ' A' ' 100' ' ' LEU . 5.8 tp -124.39 -42.67 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tm? -54.39 -45.16 99.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.06 -17.53 19.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.6 mm -87.7 -32.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.632 HD23 HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -77.46 -55.09 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.757 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -40.93 -86.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.06 -90.59 0.27 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -118.85 -40.06 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 178.82 78.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 66.2 85.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 124.78 8.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.61 127.53 44.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.54 106.88 8.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 t 61.2 107.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.08 143.3 44.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.66 -72.15 0.39 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -93.74 144.61 25.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -83.86 76.72 10.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . 47.15 93.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.79 HD23 ' HD2' ' A' ' 65' ' ' PHE . 1.6 tp -90.4 -53.86 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -32.74 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 3.1 p -74.94 -38.62 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.081 HD11 ' CE1' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -60.59 -39.42 88.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -76.88 0.39 21.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -138.5 25.23 2.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -61.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.68 169.75 8.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.45 -49.03 71.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 66.5 t -122.79 113.09 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.524 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -93.34 142.13 27.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 36' ' ' ILE . 1.7 tm? -143.39 106.16 4.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 80.7 m-85 -97.98 118.09 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -145.32 178.73 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.66 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -114.99 116.27 28.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.25 -13.46 4.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.18 160.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.804 ' HG3' HG21 ' A' ' 49' ' ' THR . 0.6 OUTLIER -60.81 -33.96 73.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -41.02 -47.39 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -163.48 114.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.48 169.85 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 -45.07 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -106.83 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 108.307 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.47 -58.13 4.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -47.16 -48.77 23.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.9 p -49.66 -40.41 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -79.78 -55.45 4.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -44.64 -69.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.007 HD13 HD21 ' A' ' 19' ' ' LEU . 4.6 tt -41.36 -42.89 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.19 -50.33 70.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -39.24 62.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.537 HG23 ' HD3' ' A' ' 91' ' ' LYS . 30.1 mt -77.93 -48.57 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -50.23 -27.5 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.423 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 9.4 m-20 -85.56 -48.04 9.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.38 -51.59 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.707 HG21 ' CD2' ' A' ' 100' ' ' LEU . 15.5 p -39.58 -39.26 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.77 -13.9 61.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.783 HG12 ' HE3' ' A' ' 101' ' ' LYS . 17.4 m -66.28 -171.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.07 131.36 51.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.437 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 16.6 p90 -145.0 177.22 8.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -147.02 179.77 7.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.804 HG21 ' HG3' ' A' ' 25' ' ' LYS . 1.9 p -140.83 142.22 34.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.445 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 1.081 ' CE1' HD11 ' A' ' 11' ' ' LEU . 58.7 t80 -130.0 130.29 44.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -70.97 131.91 44.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.67 -8.96 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.66 HD11 ' HB2' ' A' ' 22' ' ' LYS . 14.1 mt -82.69 -67.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.5 -55.33 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.11 113.96 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -88.09 -46.19 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -47.08 -43.2 19.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.666 HG11 ' CE2' ' A' ' 50' ' ' PHE . 85.4 t -71.93 -32.69 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -61.14 -70.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 17.5 pt20 -57.75 -48.39 79.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' A' ' 60' ' ' GLN . . . -52.4 -24.9 18.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.593 ' HA ' HD21 ' A' ' 8' ' ' LEU . 6.4 mt -79.96 -69.53 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -33.48 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -74.24 -29.21 61.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.79 ' HD2' HD23 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -89.32 -61.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.608 ' OG ' HD12 ' A' ' 80' ' ' LEU . 2.3 t -62.06 -29.57 70.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 73.51 33.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.548 ' CG ' ' OE1' ' A' ' 73' ' ' GLN . 6.9 t-105 -147.96 89.92 5.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 p -49.37 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.487 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.6 m-85 -95.76 165.34 16.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.5 Cg_endo -74.98 -173.97 13.27 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.005 -0.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.868 ' OE1' HD11 ' A' ' 80' ' ' LEU . 3.5 mt-30 -138.37 137.98 37.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.766 HD13 ' N ' ' A' ' 75' ' ' TYR . 1.5 tm? -101.31 131.98 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.766 ' N ' HD13 ' A' ' 74' ' ' LEU . 28.9 m-85 -127.33 132.26 50.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.414 HG12 HG23 ' A' ' 81' ' ' VAL . 8.4 p -137.05 159.97 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -38.18 -39.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.18 -122.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -116.11 161.04 19.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.868 HD11 ' OE1' ' A' ' 73' ' ' GLN . 4.9 tt -47.31 103.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.576 ' CG2' HD12 ' A' ' 74' ' ' LEU . 57.5 t -53.87 -57.9 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.466 ' N ' HD23 ' A' ' 80' ' ' LEU . . . 147.37 -177.49 25.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.79 -157.16 4.6 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.691 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.2 tm? -69.9 -50.37 42.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.418 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -46.7 -35.24 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.548 HG23 HD11 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -77.56 -63.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' A' ' 90' ' ' LEU . 40.1 t -44.28 -59.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.69 -57.43 3.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -46.45 -66.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.56 ' HB2' HD13 ' A' ' 96' ' ' LEU . 1.4 mt -42.04 -55.7 3.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.537 ' HD3' HG23 ' A' ' 39' ' ' ILE . 39.5 tptt -51.21 -50.02 59.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -49.69 46.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.34 -47.73 82.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.06 33.17 2.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -135.11 58.17 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 90' ' ' LEU . 6.2 tp -120.67 -42.96 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tm? -53.92 -45.8 98.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.98 -17.18 19.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 99' ' ' ILE . 34.5 mm -86.71 -36.65 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.707 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -74.41 -54.3 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.783 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -40.17 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -170.11 -81.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -136.86 78.38 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 98' ' ' PRO . 25.2 m 44.71 87.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.83 -153.63 4.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.64 36.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.9 p -175.59 127.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.39 122.87 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.64 90.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.982 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -117.02 157.59 25.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.21 -112.98 4.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -140.27 92.71 2.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.788 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 p -147.46 114.65 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.04 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.26 79.15 0.26 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.942 HD11 HG13 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -59.37 -62.54 1.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -43.61 -48.94 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' LYS . 71.0 t -62.06 -38.5 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.916 HD11 ' CE1' ' A' ' 50' ' ' PHE . 5.5 mt -63.49 -58.17 7.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.0 p -61.75 -19.24 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 9' ' ' LYS . 77.8 m-20 -117.72 27.77 8.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.99 -62.75 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.62 153.63 24.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -43.89 -42.18 5.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -121.97 112.3 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.534 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -100.72 134.68 43.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.867 HD21 HD13 ' A' ' 36' ' ' ILE . 1.7 tm? -133.23 104.49 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 62' ' ' LEU . 89.8 m-85 -94.45 107.29 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.575 ' HE1' ' HA ' ' A' ' 28' ' ' ALA . 9.8 ptm -129.55 170.61 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.693 ' HB2' HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -96.07 116.52 29.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.27 48.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m120 61.57 -175.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.594 ' CD ' HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -50.18 -43.93 52.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -46.26 -26.89 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -121.29 -165.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . 179.6 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER 81.83 -49.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 2.0 t 93.94 99.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.78 -40.96 0.46 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -155.6 -48.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.756 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -32.52 28.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.048 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.644 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 11.3 tptt -81.86 -50.35 9.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -49.84 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.867 HD13 HD21 ' A' ' 19' ' ' LEU . 3.9 tt -41.12 -43.06 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD11 ' HG3' ' A' ' 25' ' ' LYS . 1.4 mt -63.32 -55.78 21.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' SER . 3.8 mm-40 -44.1 -46.9 8.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.749 HG23 ' HE3' ' A' ' 91' ' ' LYS . 6.5 mt -70.47 -49.07 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.624 HD11 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.28 -27.46 35.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 t30 -93.69 -34.47 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.436 ' HB3' ' CE ' ' A' ' 91' ' ' LYS . 9.9 t -56.77 -26.4 57.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 p -63.19 -45.0 93.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.58 -1.31 63.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.86 HG12 ' HE3' ' A' ' 101' ' ' LYS . 11.1 m -81.78 -168.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.85 132.22 51.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -149.93 167.8 25.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -141.7 175.12 9.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.594 HG21 ' CD ' ' A' ' 25' ' ' LYS . 73.2 p -135.04 162.07 33.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.916 ' CE1' HD11 ' A' ' 11' ' ' LEU . 73.7 t80 -136.4 167.47 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -97.32 117.07 30.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -99.39 -10.33 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 22' ' ' LYS . 28.0 mt -89.3 -68.86 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.13 -62.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.36 107.47 15.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.01 -50.92 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -43.83 -43.3 6.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.942 HG13 HD11 ' A' ' 8' ' ' LEU . 58.2 t -75.95 -46.35 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' VAL . 44.5 ttp180 -38.35 -69.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' LYS . 3.0 pt20 -70.36 -36.04 73.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.32 -11.29 32.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HA ' HD21 ' A' ' 8' ' ' LEU . 2.4 mt -90.44 -41.6 11.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 60' ' ' GLN . 1.6 ptpt -57.82 -31.06 66.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 18.3 m -82.14 -11.52 58.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.621 ' CD2' HD23 ' A' ' 8' ' ' LEU . 28.9 t80 -63.73 -59.24 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 m -122.44 20.6 10.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 17.5 t-20 55.96 42.86 28.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.514 ' CD1' ' O ' ' A' ' 70' ' ' THR . 69.8 t-105 -127.15 82.48 68.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.457 ' HA ' ' CB ' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -74.91 0.83 8.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 21.7 m -89.57 143.73 26.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 23.9 m-85 -144.85 152.6 52.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.99 168.34 77.74 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.006 -0.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' CB ' ' CD1' ' A' ' 68' ' ' TRP . 1.7 pt20 -125.39 -179.11 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.686 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -135.14 134.13 39.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.686 ' N ' HD13 ' A' ' 74' ' ' LEU . 14.1 m-85 -123.61 128.32 49.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.564 HG23 HD12 ' A' ' 74' ' ' LEU . 74.4 t -136.8 132.71 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 54.41 29.25 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.78 -42.34 3.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -72.19 136.93 46.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.79 142.53 57.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 76' ' ' VAL . 30.0 t -96.62 -55.96 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.533 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 159.72 -160.38 31.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.49 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -102.92 -156.65 25.24 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.76 -61.08 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -42.24 -40.79 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.533 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -73.32 -67.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.593 HG11 HD21 ' A' ' 40' ' ' LEU . 79.0 t -41.19 -55.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -45.77 62.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -49.95 -69.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.628 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.0 mm? -42.86 -54.83 3.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.749 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -53.71 -45.35 70.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.42 -61.13 2.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -49.9 -39.83 41.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.21 45.0 1.78 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -145.76 49.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.628 HD13 ' HB2' ' A' ' 90' ' ' LEU . 4.2 tp -120.16 -41.93 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.624 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tm? -55.86 -45.64 99.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -75.01 -29.71 7.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 99' ' ' ILE . 13.0 mm -74.78 -33.47 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.499 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -76.23 -61.02 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.86 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.7 mmpt? -40.03 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.06 -75.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -124.38 -47.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.794 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.4 t 68.03 107.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.53 -158.64 7.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 151.66 39.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 t -171.15 80.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.15 84.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.949 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.47 133.84 29.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.02 -52.97 5.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.93 146.82 8.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.4 -54.69 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.76 89.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.964 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -78.46 108.45 2.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.775 HD21 ' HA ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -92.79 -65.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.78 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -49.14 -46.94 45.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.467 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 7.3 p -57.29 -45.24 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.713 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 2.4 mt -50.8 -58.28 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.0 p -58.55 -16.07 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -116.63 21.13 13.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -72.49 -58.46 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.42 161.98 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -50.08 -48.13 53.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.2 t -121.51 109.11 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.569 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.08 132.82 39.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.931 HD23 HD11 ' A' ' 40' ' ' LEU . 1.2 tm? -131.98 104.75 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 96.4 m-85 -92.82 118.9 31.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.756 ' SD ' HD11 ' A' ' 37' ' ' LEU . 28.2 ptm -145.29 178.41 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.517 ' HA ' HD21 ' A' ' 53' ' ' LEU . 8.0 tmtt? -98.44 111.24 23.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.79 -18.35 26.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.3 m120 61.41 170.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -39.78 -30.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASN . 44.3 mm-40 -51.19 -50.1 59.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.73 147.96 31.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HA ' ' HE1' ' A' ' 21' ' ' MET . . . -109.69 -172.78 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -81.87 -67.69 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 t -175.09 -61.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -152.83 56.26 0.43 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -159.95 -48.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.678 ' O ' HD13 ' A' ' 37' ' ' LEU . 1.4 m -83.83 -22.29 31.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -79.98 -39.73 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -46.55 -63.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.851 HD13 HD21 ' A' ' 19' ' ' LEU . 6.9 tt -42.64 -52.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.756 HD11 ' SD ' ' A' ' 21' ' ' MET . 7.1 mp -49.56 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.26 -37.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.457 HD12 ' CD2' ' A' ' 84' ' ' LEU . 37.8 mt -76.62 -54.71 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.931 HD11 HD23 ' A' ' 19' ' ' LEU . 1.1 mt -54.41 -28.57 44.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.167 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -81.26 -37.82 27.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -44.89 39.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.732 HG21 HD23 ' A' ' 100' ' ' LEU . 31.8 p -56.24 -23.24 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.06 19.82 32.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.647 HG12 ' HE3' ' A' ' 101' ' ' LYS . 21.0 m -94.28 175.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -66.66 126.79 30.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.558 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 10.8 p90 -151.1 -179.78 7.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.88 177.02 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.536 HG21 ' HG3' ' A' ' 25' ' ' LYS . 2.5 p -134.09 153.4 51.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.713 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 59.6 t80 -133.91 162.43 32.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' N ' HD21 ' A' ' 24' ' ' ASN . 2.6 p30 -102.13 126.39 49.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -99.14 -12.12 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.608 HD22 ' H ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -77.24 -70.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -41.05 -90.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.91 94.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.0 -52.32 20.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -44.33 -52.21 7.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.502 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 92.7 t -58.01 -38.23 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -59.8 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -68.95 -28.42 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.445 ' N ' ' HG3' ' A' ' 60' ' ' GLN . . . -72.15 -33.92 61.77 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.775 ' HA ' HD21 ' A' ' 8' ' ' LEU . 6.3 mt -73.38 -62.82 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.69 -44.08 13.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -67.25 -38.43 85.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 5.5 t80 -43.07 -55.03 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.0 m -118.5 23.5 11.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LYS . 14.3 t-20 40.42 35.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CD1' ' NE2' ' A' ' 73' ' ' GLN . 2.3 t-105 -128.12 88.08 53.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.79 2.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.442 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 8.2 m -38.63 118.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.492 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 7.6 m-85 -117.56 162.5 28.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -74.98 -176.04 17.26 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.019 -0.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.558 ' NE2' ' CD1' ' A' ' 68' ' ' TRP . 2.1 mt-30 -143.7 133.48 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.795 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.3 tp -98.18 127.08 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.795 ' N ' HD12 ' A' ' 74' ' ' LEU . 38.5 m-85 -120.7 129.01 53.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 78' ' ' GLY . 68.0 t -120.25 148.0 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -39.09 -30.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -71.9 -102.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -128.35 159.01 36.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.469 HD21 HE22 ' A' ' 73' ' ' GLN . 4.5 tp -56.6 111.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.74 -66.69 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.554 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 153.98 -156.68 26.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.87 -175.36 44.13 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.8 tm? -50.94 -54.93 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -47.4 -45.48 25.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.554 HG21 ' HA3' ' A' ' 82' ' ' GLY . 0.8 OUTLIER -66.17 -63.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.619 HG22 HD23 ' A' ' 74' ' ' LEU . 75.7 t -40.47 -57.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -51.78 53.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -42.75 -47.85 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.599 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.7 mm? -66.67 -46.61 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HB2' HD22 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -55.79 -57.41 12.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -48.67 -53.09 20.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -58.67 -52.93 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.52 35.2 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.5 51.69 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.599 HD13 ' HB2' ' A' ' 90' ' ' LEU . 6.0 tp -124.95 -49.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.9 -46.35 97.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.04 -13.73 21.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.4 mm -89.76 -43.23 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -69.99 -48.67 57.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.647 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -45.61 -73.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . 150.94 73.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 102' ' ' GLY . 62.3 mt-10 35.05 84.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.73 164.43 8.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -100.58 -145.32 17.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.62 17.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 152.44 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.987 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 63.3 p -136.04 106.03 6.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.93 104.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.77 164.5 22.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.55 -128.86 1.83 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.26 111.53 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.32 162.22 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.82 61.22 0.4 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.899 ' CD2' HG13 ' A' ' 58' ' ' VAL . 16.0 mt -91.49 -64.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.3 ptpt -45.22 -50.96 11.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.6 p -52.18 -46.61 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.945 HD11 ' CE1' ' A' ' 50' ' ' PHE . 2.4 mt -58.69 -57.85 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -61.66 -19.54 62.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LYS . 77.5 m-20 -117.01 30.43 7.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -78.42 -63.55 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.31 157.09 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -40.25 -53.96 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.516 HG13 HD13 ' A' ' 74' ' ' LEU . 90.6 t -119.72 113.58 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.553 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -97.28 140.12 32.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.987 HD21 HD13 ' A' ' 36' ' ' ILE . 1.6 tm? -136.46 105.76 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 26.7 m-85 -98.39 106.46 18.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -134.41 178.5 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.698 ' HA ' HD21 ' A' ' 53' ' ' LEU . 24.4 tttt -99.6 109.97 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.08 -21.05 7.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 59.73 168.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 0.746 . . . . 0.0 109.302 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HE2' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -51.91 -25.41 8.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -47.06 -54.02 11.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -156.26 144.8 20.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.499 ' HB1' ' OG ' ' A' ' 33' ' ' SER . . . -99.2 155.36 17.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -141.47 52.05 1.55 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 m 59.96 -177.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.82 60.35 3.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 41.2 29.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.499 ' OG ' ' HB1' ' A' ' 28' ' ' ALA . 16.4 p -84.16 -42.51 15.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 28' ' ' ALA . 3.1 tttp -87.58 -40.96 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' GLU . 12.9 mm-40 -53.13 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.987 HD13 HD21 ' A' ' 19' ' ' LEU . 5.4 tt -37.94 -39.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 33' ' ' SER . 5.6 mt -63.51 -54.69 32.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' GLN . 2.7 pt-20 -57.58 -25.28 59.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.6 mt -84.86 -43.73 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.658 HD11 HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -62.68 -25.93 68.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -92.07 -44.17 8.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -47.31 -27.51 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.769 HG21 ' CD2' ' A' ' 100' ' ' LEU . 2.1 p -67.08 -43.71 81.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.12 -23.26 29.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.847 HG12 ' HE2' ' A' ' 101' ' ' LYS . 31.0 m -56.8 -171.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 0.746 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -115.11 122.88 47.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.506 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 6.6 p90 -136.66 171.42 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -139.9 176.06 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.1 p -131.41 159.4 38.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.945 ' CE1' HD11 ' A' ' 11' ' ' LEU . 82.1 t80 -132.93 165.46 24.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -104.2 99.59 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.91 -20.39 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -72.55 -65.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -41.69 -66.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.52 87.36 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.91 -54.66 27.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -41.43 -51.84 3.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.899 HG13 ' CD2' ' A' ' 8' ' ' LEU . 94.5 t -57.27 -53.99 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' VAL . 43.5 ttt180 -38.91 -36.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -90.55 -42.81 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -62.2 -19.08 59.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.763 HD12 HG12 ' A' ' 58' ' ' VAL . 3.0 mt -83.4 -68.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -31.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.4 m -78.06 -48.8 15.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -67.76 -54.8 16.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.58 -29.31 67.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.8 t30 70.99 33.6 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.445 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 3.9 t-105 -153.63 95.8 2.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.445 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 9.7 m -40.59 105.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.486 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.5 m-85 -113.82 164.85 14.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.5 Cg_endo -74.97 -178.01 22.19 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.055 -0.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.685 ' O ' HD22 ' A' ' 19' ' ' LEU . 21.7 mm100 -137.55 179.8 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 75' ' ' TYR . 5.7 tp -140.71 142.84 34.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.664 ' N ' HD12 ' A' ' 74' ' ' LEU . 66.8 m-85 -134.0 127.04 31.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.543 HG23 HD11 ' A' ' 74' ' ' LEU . 6.3 t -137.2 135.45 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 72.34 -58.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.95 -45.83 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -74.4 146.08 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.644 HD23 ' N ' ' A' ' 81' ' ' VAL . 4.1 tt -67.53 137.05 55.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.644 ' N ' HD23 ' A' ' 80' ' ' LEU . 91.4 t -88.05 -51.25 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.635 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 148.48 -176.9 27.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.496 ' CA ' ' OE1' ' A' ' 73' ' ' GLN . . . -91.07 179.62 42.57 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.529 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -42.37 -53.86 4.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 0.762 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.499 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -45.34 -48.59 13.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.705 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.2 mt -68.58 -61.07 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.607 HG22 HD23 ' A' ' 74' ' ' LEU . 72.8 t -41.33 -49.93 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -50.62 72.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -41.25 -43.65 2.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.705 HD22 ' O ' ' A' ' 86' ' ' ILE . 1.1 mm? -67.87 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 92' ' ' ASP . 0.4 OUTLIER -43.84 -43.47 6.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' LYS . 42.2 t0 -40.08 -65.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 95' ' ' GLU . 6.0 p30 -71.27 -43.09 67.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 93' ' ' ASN . . . 118.36 35.41 1.01 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 2.7 mm-40 -115.48 39.71 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.479 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 4.8 tp -120.27 -41.13 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.625 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -54.24 -45.57 99.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -75.04 -19.85 17.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 43.2 mm -81.62 -45.81 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.769 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -67.37 -52.71 36.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.847 ' HE2' HG12 ' A' ' 45' ' ' VAL . 1.5 mmpt? -39.67 -70.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.76 -74.77 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.1 112.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.3 m -118.22 171.95 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.44 95.86 0.12 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.068 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 87.32 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.8 p -101.12 -52.02 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.88 99.85 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.059 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.69 165.78 35.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -145.8 90.95 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.29 -156.04 26.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 m -117.98 -51.78 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.05 -46.86 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.82 110.37 1.22 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.849 ' CD2' HG13 ' A' ' 58' ' ' VAL . 11.1 mt -90.23 -64.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.04 -50.5 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 11' ' ' LEU . 13.7 p -54.26 -50.98 52.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.784 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 3.0 mt -53.03 -60.8 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.468 ' CG2' HD21 ' A' ' 62' ' ' LEU . 29.9 p -55.17 -18.95 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -121.02 36.76 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.82 -59.64 2.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.55 156.26 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.84 -32.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 72.7 t -139.85 114.03 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.472 ' HE3' ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.33 140.51 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.789 HD23 HD11 ' A' ' 40' ' ' LEU . 1.5 tm? -137.67 104.6 5.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.446 ' CE2' ' HE3' ' A' ' 18' ' ' MET . 94.6 m-85 -100.31 114.89 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 14.4 ptm -135.88 174.45 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HA ' HD21 ' A' ' 53' ' ' LEU . 1.6 ttmm -94.63 103.83 15.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.83 -31.44 3.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.54 171.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HG3' ' CG2' ' A' ' 49' ' ' THR . 5.8 mtmt -49.07 -55.36 12.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -41.66 -28.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.729 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -111.15 -142.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . 86.96 64.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.71 36.42 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.5 p -151.67 125.87 9.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 108.349 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' PHE . . . -41.21 -51.48 4.35 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -36.92 -40.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 111.014 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.478 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 68.7 m -92.39 -66.89 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -38.55 -47.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLU . 86.0 mt-30 -40.62 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.739 HD13 HD21 ' A' ' 19' ' ' LEU . 3.2 tt -40.42 -43.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.433 ' CD2' ' OH ' ' A' ' 47' ' ' TYR . 3.0 mt -61.43 -51.16 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' GLN . 3.1 mm-40 -55.84 -45.53 78.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.773 HG23 ' HE2' ' A' ' 91' ' ' LYS . 15.4 mt -66.73 -51.19 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.789 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -48.05 -25.16 1.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ILE . 9.8 m-80 -89.42 -44.4 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.3 m -45.01 -40.55 6.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.826 HG21 ' CD2' ' A' ' 100' ' ' LEU . 32.4 p -53.45 -47.15 69.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.71 -15.28 52.82 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.125 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.878 HG12 ' HE3' ' A' ' 101' ' ' LYS . 26.7 m -66.94 -178.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.37 132.43 50.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.433 ' OH ' ' CD2' ' A' ' 37' ' ' LEU . 6.4 p90 -145.75 172.58 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -148.89 162.97 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.464 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 11.6 p -117.73 163.8 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.784 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 76.4 t80 -142.12 166.32 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.1 115.06 28.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.689 HD13 ' CD2' ' A' ' 71' ' ' TYR . 1.5 pt -92.72 -22.77 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -69.68 -72.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -45.42 -64.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.05 66.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' ARG . 1.9 pt-20 -45.17 -57.87 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -38.84 -45.38 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.849 HG13 ' CD2' ' A' ' 8' ' ' LEU . 88.2 t -67.46 -46.22 83.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -37.78 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 6.3 pt20 -74.58 -43.63 54.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.553 ' C ' HD11 ' A' ' 8' ' ' LEU . . . -45.17 -25.6 1.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.64 ' HG ' HD22 ' A' ' 8' ' ' LEU . 4.9 mt -85.48 -51.51 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' O ' ' CA ' ' A' ' 67' ' ' ASN . 23.5 pttt -40.04 -45.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 m -72.91 -39.93 65.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' LEU . 4.5 t80 -49.9 -41.31 45.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.566 ' HB3' HD22 ' A' ' 80' ' ' LEU . 70.6 m -122.37 18.38 10.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.485 ' CA ' ' O ' ' A' ' 63' ' ' LYS . 8.9 m-20 39.62 42.86 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.469 ' NE1' ' HB ' ' A' ' 70' ' ' THR . 4.6 t-105 -150.93 101.15 3.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' CA ' ' HB2' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -74.98 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.469 ' HB ' ' NE1' ' A' ' 68' ' ' TRP . 2.2 m -38.53 138.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.689 ' CD2' HD13 ' A' ' 52' ' ' ILE . 1.6 m-85 -130.28 165.23 35.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.93 -174.75 14.63 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.057 -2.476 . . . . 0.0 110.981 -0.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.48 ' OE1' ' CE1' ' A' ' 71' ' ' TYR . 59.5 mt-30 -136.31 145.46 45.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.778 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -115.77 132.44 56.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.778 ' N ' HD13 ' A' ' 74' ' ' LEU . 47.0 m-85 -121.83 128.22 51.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.531 HG23 ' CD1' ' A' ' 74' ' ' LEU . 16.9 t -137.1 133.56 47.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.37 14.27 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.79 -47.04 1.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.51 145.65 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.796 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 66' ' ' SER . 0.5 OUTLIER -74.76 132.92 41.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 39.1 t -81.25 -54.39 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.597 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 162.63 -166.92 36.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.47 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -93.9 -167.36 37.57 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.491 HD22 ' O ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -53.77 -57.24 11.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.262 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.13 -41.01 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.643 ' O ' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -67.4 -69.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.576 ' N ' HG22 ' A' ' 86' ' ' ILE . 69.5 t -40.07 -50.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.522 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -56.46 -52.25 65.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -43.66 -52.32 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 86' ' ' ILE . 2.6 mm? -52.52 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.806 ' HB2' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -44.88 -46.88 11.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -39.16 -63.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -41.14 -51.9 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.26 46.34 0.17 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.408 ' HB3' ' HG2' ' A' ' 98' ' ' PRO . 29.6 mt-10 -146.32 -104.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.78 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.806 HD22 ' HB2' ' A' ' 91' ' ' LYS . 13.9 tp 69.97 -55.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.574 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.9 tm? -44.23 -47.97 24.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -22.09 15.19 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' LEU . 41.5 mm -77.57 -43.71 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.826 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -70.98 -56.08 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.878 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.8 mmpt? -40.43 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.03 75.62 0.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -50.34 124.43 10.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.52 117.9 14.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.7 -74.8 1.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.47 39.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.5 t -116.86 133.29 56.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.1 p -141.26 163.38 33.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.48 -57.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.016 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t 65.22 142.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.57 -121.44 0.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t 60.72 78.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 p -45.21 -58.72 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.23 117.85 4.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.658 HD12 HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.96 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -47.43 -46.07 26.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' LYS . 12.4 t -56.33 -45.89 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.054 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.6 mt -54.87 -58.17 8.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.4 p -61.51 -16.9 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -116.96 27.76 8.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -80.11 -62.14 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.66 153.35 29.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.97 -50.6 8.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.065 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 47' ' ' TYR . 77.2 t -113.54 113.42 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.614 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -104.57 135.7 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.902 HD21 HD13 ' A' ' 36' ' ' ILE . 1.9 tm? -133.08 104.7 6.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 95.7 m-85 -96.65 126.73 42.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.5 ptm -161.39 153.51 19.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HB3' HD11 ' A' ' 52' ' ' ILE . 7.5 ptmt -82.85 117.14 22.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.23 -37.56 1.87 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.12 157.51 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.08 -39.92 6.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -44.95 -48.63 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -157.47 99.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.896 ' HB1' ' HB2' ' A' ' 33' ' ' SER . . . -77.62 -87.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 29.01 82.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' SG ' ' CG ' ' A' ' 22' ' ' LYS . 44.2 t -170.04 75.02 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' PHE . . . 59.98 92.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' GLY . 8.7 m-85 34.7 61.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 0.783 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.896 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -91.43 -71.36 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -42.86 -36.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -44.95 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.902 HD13 HD21 ' A' ' 19' ' ' LEU . 6.2 tt -41.71 -48.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD12 ' CG2' ' A' ' 36' ' ' ILE . 8.8 mp -53.2 -53.64 47.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.33 -50.34 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.876 HG23 ' HE3' ' A' ' 91' ' ' LYS . 5.9 mt -61.38 -45.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.68 HD11 HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -55.28 -28.41 53.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -84.33 -50.63 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -39.98 -52.61 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.703 HG21 ' CD2' ' A' ' 100' ' ' LEU . 11.4 p -38.72 -36.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.07 -14.8 64.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.849 HG12 ' HE3' ' A' ' 101' ' ' LYS . 22.8 m -69.52 -171.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.38 138.57 51.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.486 ' CD1' ' C ' ' A' ' 47' ' ' TYR . 4.8 p90 -150.57 169.4 21.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -135.13 165.03 26.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.7 p -123.96 158.95 30.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.377 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 1.054 ' CE1' HD11 ' A' ' 11' ' ' LEU . 80.8 t80 -137.57 162.34 34.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -102.63 120.68 40.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.561 HD11 ' HB3' ' A' ' 22' ' ' LYS . 1.3 pt -93.81 -17.43 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 22' ' ' LYS . 2.3 mt -77.56 -59.79 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -42.83 -57.84 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.1 104.99 15.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -42.64 44.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.86 -46.98 60.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.658 HG13 HD12 ' A' ' 8' ' ' LEU . 92.2 t -62.39 -45.56 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -53.03 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 2.8 pt20 -51.47 -37.06 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.25 -19.0 75.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' PHE . 8.5 mt -86.03 -63.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 0.728 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' ASN . 2.3 ptmt -42.87 -42.04 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.4 m -69.76 -38.99 76.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.8 t80 -49.81 -50.61 44.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -109.55 13.37 23.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' LYS . 20.0 t-20 40.31 36.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.531 ' CD1' ' NE2' ' A' ' 73' ' ' GLN . 30.5 t-105 -127.74 77.56 76.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.035 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 29.75 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 68' ' ' TRP . 2.1 m -114.28 94.34 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.5 m-85 -91.64 163.51 27.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 -176.89 19.02 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.973 0.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.712 HE22 HD21 ' A' ' 80' ' ' LEU . 3.0 mt-30 -154.22 143.59 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -111.93 148.33 33.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.822 ' CE1' HD13 ' A' ' 80' ' ' LEU . 21.0 m-85 -134.74 127.72 31.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 74' ' ' LEU . 95.8 t -130.05 150.86 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -39.49 -31.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -67.16 -107.91 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -129.3 163.7 25.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.822 HD13 ' CE1' ' A' ' 75' ' ' TYR . 15.3 tp -58.51 95.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.8 t -44.46 -71.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.643 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.1 -157.2 27.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.466 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -99.54 -178.76 31.1 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.501 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -44.52 -64.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -40.89 -41.77 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.643 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -70.15 -66.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.446 ' N ' HG22 ' A' ' 86' ' ' ILE . 69.0 t -39.93 -60.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -46.6 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 86' ' ' ILE . 1.1 tp10 -53.08 -59.43 4.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.7 mm? -49.65 -55.51 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.876 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.5 -60.19 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -44.83 -55.41 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -57.25 -48.13 79.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.6 34.62 1.53 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -136.55 59.07 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.631 HD13 ' HB2' ' A' ' 90' ' ' LEU . 6.5 tp -128.6 -44.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.2 -45.87 98.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.98 -18.38 18.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.83 -35.01 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.703 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -75.63 -55.54 5.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.849 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.2 mmpt? -40.71 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . 152.81 83.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' GLY . 3.2 tt0 36.96 73.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.96 137.82 40.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.0 102.59 1.55 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 97.36 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.27 103.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.978 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 m 63.71 160.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -144.22 136.81 26.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m -148.59 123.96 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.67 -149.92 19.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -48.81 136.93 13.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.008 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -153.84 135.44 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.37 -57.92 0.47 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.557 1.16 . . . . 0.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.661 ' CD2' HG13 ' A' ' 58' ' ' VAL . 15.5 mt -72.93 -52.68 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -51.22 -46.34 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.82 -35.95 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.808 HD11 ' CE1' ' A' ' 50' ' ' PHE . 2.8 mt -68.93 -56.18 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -63.21 -14.56 50.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -121.23 23.35 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -60.05 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.76 157.33 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.15 -55.38 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -115.08 116.77 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.71 140.36 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.917 HD21 HD13 ' A' ' 36' ' ' ILE . 1.4 tm? -144.52 104.43 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.602 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 33.6 m-85 -90.65 105.92 18.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.487 ' SD ' HD11 ' A' ' 37' ' ' LEU . 17.7 ptm -126.75 166.35 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.68 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -101.25 124.84 47.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.9 -15.84 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER 64.9 165.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.626 ' CD ' HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -46.4 -42.94 15.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -53.68 -50.76 65.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.94 109.08 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . -113.88 47.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 68.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 177.08 160.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 35' ' ' GLN . . . -83.34 -52.79 3.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 84' ' ' LEU . 6.6 m-85 -62.37 -42.08 99.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.469 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 49.9 m -54.2 -55.87 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -70.86 -49.74 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 1.2 mm-40 -48.29 -71.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.917 HD13 HD21 ' A' ' 19' ' ' LEU . 6.6 tt -40.12 -45.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD13 ' HG3' ' A' ' 25' ' ' LYS . 10.3 mt -58.89 -61.04 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -43.35 -37.32 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.727 HG23 ' HE3' ' A' ' 91' ' ' LYS . 23.0 mt -77.81 -46.78 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.716 HD11 HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -59.69 -23.76 63.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' LEU . 2.3 t30 -91.18 -41.92 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -40.73 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.448 HG21 ' CD2' ' A' ' 100' ' ' LEU . 2.0 p -40.71 -34.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.45 8.44 77.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.653 HG12 ' HE2' ' A' ' 101' ' ' LYS . 4.2 m -98.11 -167.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.07 132.41 50.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -146.32 167.09 24.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -142.21 174.28 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.626 HG21 ' CD ' ' A' ' 25' ' ' LYS . 9.0 p -131.86 167.38 19.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.808 ' CE1' HD11 ' A' ' 11' ' ' LEU . 75.4 t80 -141.47 156.17 45.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 2.9 p30 -92.74 111.53 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 22' ' ' LYS . 1.1 pp -91.51 -18.27 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 22' ' ' LYS . 19.9 mt -82.11 -64.28 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.64 -55.54 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.31 104.01 16.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.49 -34.4 41.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -57.81 -56.64 19.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.758 HG12 HD12 ' A' ' 62' ' ' LEU . 69.0 t -60.68 -36.75 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -55.22 -57.09 13.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -72.75 -26.42 61.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -75.43 -24.65 70.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.758 HD12 HG12 ' A' ' 58' ' ' VAL . 5.2 mt -85.74 -59.57 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.767 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.96 -30.62 10.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 m -80.49 -27.79 37.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.1 t80 -90.8 -14.37 32.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.5 p -112.39 -30.1 7.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' LYS . 17.1 t30 69.31 34.19 3.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.555 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 4.0 t-105 -140.18 70.27 34.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 32.61 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.555 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 4.4 m -101.44 -56.59 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 5.5 m-85 55.48 162.41 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.02 168.35 77.7 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.996 -0.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.611 ' O ' HD22 ' A' ' 19' ' ' LEU . 5.9 mm-40 -132.93 152.73 51.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 75' ' ' TYR . 2.5 tp -114.03 117.07 30.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 60.0 m-85 -114.61 128.99 56.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 77' ' ' ARG . 12.5 p -125.38 167.8 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.505 ' N ' HG22 ' A' ' 76' ' ' VAL . 1.0 OUTLIER -39.0 -41.9 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.34 -120.22 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.04 170.59 11.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 82' ' ' GLY . 3.9 tt -42.58 122.37 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.642 ' O ' HG21 ' A' ' 86' ' ' ILE . 85.2 t -74.46 -43.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.728 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 129.41 163.91 11.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.29 -179.35 2.14 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 84' ' ' LEU . 2.0 tm? -53.93 -48.26 70.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -30.37 13.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.728 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.6 mt -84.44 -62.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.507 HG11 HD21 ' A' ' 40' ' ' LEU . 86.2 t -41.31 -63.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -49.16 11.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.76 -55.6 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.465 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.2 mm? -59.66 -64.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.727 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -41.28 -56.68 2.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.31 -56.5 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -55.4 -43.83 75.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.7 33.24 3.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -135.68 45.6 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 100' ' ' LEU . 6.0 tp -112.88 -38.83 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.5 tm? -53.4 -45.77 98.33 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -11.67 21.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.5 mm -92.39 -30.15 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.478 HD11 HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -82.95 -54.73 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.653 ' HE2' HG12 ' A' ' 45' ' ' VAL . 22.0 mmtt -49.47 -56.47 9.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.24 88.88 1.87 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.03 169.29 12.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 110.247 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 m -128.48 152.98 47.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.86 99.01 2.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 18.4 Cg_endo -74.99 -31.64 6.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.435 1.755 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.56 -78.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' PRO . 22.5 t -101.76 114.56 28.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -117.71 107.91 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.741 . . . . 0.0 110.041 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -123.05 166.3 15.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.95 -117.99 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.76 -49.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -94.2 123.89 37.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -140.83 111.3 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.527 HD23 ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -94.24 -65.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -48.12 -47.09 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 3.8 p -54.29 -40.43 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.702 HD11 ' CD1' ' A' ' 50' ' ' PHE . 42.8 tp -65.64 -48.78 71.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.521 ' CG2' HD21 ' A' ' 62' ' ' LEU . 39.8 p -65.29 -13.93 59.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -121.55 34.98 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -75.05 -64.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.47 162.25 13.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 t -43.71 -41.33 4.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.435 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 83.6 t -129.93 116.47 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.421 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -96.58 134.09 40.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.857 HD21 HD13 ' A' ' 36' ' ' ILE . 1.7 tm? -128.33 105.99 8.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 53.1 m-85 -97.14 120.09 36.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.416 ' CE ' ' HB2' ' A' ' 33' ' ' SER . 11.3 ptm -154.14 173.87 15.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.706 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -95.82 107.31 19.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.18 -29.08 5.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER 57.21 168.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.767 ' HG2' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -40.29 -36.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -55.84 -49.04 74.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ASN . 27.1 tt0 -126.94 124.56 39.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.99 -148.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt 66.61 43.01 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.04 136.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.01 32.72 73.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 54.06 40.65 31.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.449 ' O ' HG22 ' A' ' 36' ' ' ILE . 6.9 p -82.41 -70.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.8 tptm -36.92 -38.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -45.49 -66.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.857 HD13 HD21 ' A' ' 19' ' ' LEU . 6.6 tt -49.5 -41.3 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.767 HD23 ' HG2' ' A' ' 25' ' ' LYS . 10.0 mp -60.61 -61.33 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -42.14 -46.1 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.715 HG23 ' HD3' ' A' ' 91' ' ' LYS . 26.3 mt -71.88 -47.7 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.81 -25.86 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -88.55 -46.98 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 m -44.88 -46.01 10.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.923 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.573 HG21 ' CD2' ' A' ' 100' ' ' LEU . 18.7 p -43.75 -35.74 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.63 -12.33 70.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.839 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.1 m -74.87 -174.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -110.64 141.58 43.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.435 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 11.7 p90 -150.7 175.86 11.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.63 170.13 16.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.8 p -125.46 157.86 35.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.702 ' CD1' HD11 ' A' ' 11' ' ' LEU . 92.7 t80 -139.25 164.69 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 2.4 p30 -95.83 120.7 36.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -96.4 -20.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -83.79 -61.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.67 -52.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.56 95.06 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.61 -56.08 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -39.16 -51.02 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 62' ' ' LEU . 90.6 t -57.03 -49.26 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.4 ttp180 -54.12 -67.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.18 -40.81 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.8 -24.89 75.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.521 HD21 ' CG2' ' A' ' 12' ' ' THR . 7.3 mt -76.58 -60.4 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -51.07 -35.81 36.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.5 m -76.07 -25.02 55.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.527 ' CD2' HD23 ' A' ' 8' ' ' LEU . 6.3 t80 -62.7 -40.39 97.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.502 ' HB3' HD22 ' A' ' 80' ' ' LEU . 14.9 m -122.54 12.27 10.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' LYS . 6.0 t-20 46.52 38.34 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.425 ' CG ' HD21 ' A' ' 80' ' ' LEU . 66.4 t-105 -130.06 79.35 73.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.29 9.1 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.8 m -84.31 100.99 11.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.522 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 13.4 m-85 -104.76 158.25 32.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.9 171.52 67.54 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.057 -0.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.489 ' OE1' ' CE2' ' A' ' 75' ' ' TYR . 4.8 pt20 -143.07 145.41 32.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -94.43 132.87 38.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.713 ' N ' HD13 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -122.78 127.02 48.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.556 HG23 HD12 ' A' ' 74' ' ' LEU . 42.1 t -130.73 168.48 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.528 ' N ' HG12 ' A' ' 76' ' ' VAL . 3.1 mmt85 -74.04 62.11 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.99 -99.54 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -128.19 139.62 52.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 66' ' ' SER . 4.5 tp -47.48 105.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -54.69 -68.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.497 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.5 -164.42 33.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.22 -167.55 34.29 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD13 ' C ' ' A' ' 84' ' ' LEU . 2.3 tm? -46.6 -62.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.46 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -40.73 -35.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.497 HG21 ' HA3' ' A' ' 82' ' ' GLY . 0.9 OUTLIER -81.78 -66.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.505 HG13 HD21 ' A' ' 96' ' ' LEU . 74.8 t -40.23 -50.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -50.31 73.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.08 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.43 -58.35 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.496 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.0 mm? -54.21 -48.27 71.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.715 ' HD3' HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -52.26 -67.27 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -40.38 -61.43 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -50.89 -48.13 60.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.87 46.08 0.85 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -143.96 57.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.505 HD21 HG13 ' A' ' 87' ' ' VAL . 7.5 tp -130.3 -47.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.54 -46.26 95.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.99 -16.65 20.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 33.6 mm -86.37 -41.82 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.573 ' CD2' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -70.4 -51.54 28.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.839 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.4 mmpt? -43.32 -77.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.65 82.41 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -73.27 -39.52 65.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.2 t -115.4 130.52 56.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.01 -83.62 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 63.19 5.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 t -55.23 110.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.0 m -143.06 -58.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.52 90.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -68.57 -54.62 15.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.89 169.29 16.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.55 -54.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -112.06 163.03 14.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.63 170.6 14.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.677 ' CD1' HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -93.07 -65.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -44.14 -48.78 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' LYS . 5.4 p -52.89 -41.11 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.08 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.4 mt -60.87 -51.32 69.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.44 ' CG2' ' CD2' ' A' ' 62' ' ' LEU . 74.5 p -67.08 -11.1 56.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -124.82 25.15 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -76.72 -63.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.72 162.08 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.12 -41.89 68.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.584 HG13 HD13 ' A' ' 74' ' ' LEU . 53.1 t -123.39 106.24 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.534 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -93.17 142.95 26.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.795 HD21 HD13 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -142.33 112.29 6.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CD2' ' HB3' ' A' ' 50' ' ' PHE . 89.6 m-85 -110.54 115.44 29.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.472 ' SD ' ' CB ' ' A' ' 33' ' ' SER . 0.2 OUTLIER -146.28 178.82 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.826 ' HG3' HD11 ' A' ' 52' ' ' ILE . 18.2 mtmt -95.31 101.9 13.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.37 -34.14 1.93 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.94 168.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HE2' ' CE2' ' A' ' 47' ' ' TYR . 5.6 mtmt -55.55 -31.62 62.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -44.19 -47.97 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -178.25 95.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB1' ' HE1' ' A' ' 21' ' ' MET . . . -39.9 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.03 42.66 9.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.54 -41.39 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.338 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.14 -28.56 14.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' GLN . 46.4 m-85 -118.32 -59.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.472 ' CB ' ' SD ' ' A' ' 21' ' ' MET . 16.4 m -39.45 -53.34 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' SER . 9.2 tptt -37.43 -40.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' PHE . 17.9 mm100 -49.79 -64.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.795 HD13 HD21 ' A' ' 19' ' ' LEU . 3.5 tt -45.75 -42.16 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.707 HD12 HG22 ' A' ' 36' ' ' ILE . 9.1 mp -62.43 -52.11 64.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.52 -46.41 57.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mt -70.83 -48.24 58.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.737 HD11 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.95 -24.0 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.43 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 78.3 m-20 -86.86 -35.4 19.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -47.34 65.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -48.06 -32.93 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.0 21.28 67.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.746 HG12 ' HE2' ' A' ' 101' ' ' LYS . 18.8 m -96.73 -170.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -86.37 121.38 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 5.5 p90 -150.95 174.22 13.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.3 -177.55 6.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p -147.12 145.76 29.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 1.08 ' CE1' HD11 ' A' ' 11' ' ' LEU . 65.7 t80 -125.13 167.45 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.486 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -107.79 123.01 47.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.826 HD11 ' HG3' ' A' ' 22' ' ' LYS . 2.8 pt -95.46 -28.12 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.505 HD21 ' HG2' ' A' ' 22' ' ' LYS . 3.6 mt -67.17 -59.89 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.22 -64.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.64 96.78 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -41.5 82.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -47.38 -42.06 21.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.677 HG13 ' CD1' ' A' ' 8' ' ' LEU . 46.7 t -72.92 -46.5 52.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.415 ' CG ' ' HD2' ' A' ' 63' ' ' LYS . 20.9 ttp180 -43.33 -67.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 61' ' ' GLY . 4.7 pt20 -56.36 -35.07 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 60' ' ' GLN . . . -62.83 -63.9 4.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.66 ' HA ' HD21 ' A' ' 8' ' ' LEU . 16.7 mt -48.09 -53.3 16.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 67' ' ' ASN . 29.1 mtpt -50.4 -31.15 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.8 m -84.59 -48.03 9.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.42 -26.72 13.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 58.2 m -113.58 -30.62 6.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 66' ' ' SER . 37.1 t30 79.9 39.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.501 ' C ' ' H ' ' A' ' 70' ' ' THR . 1.2 t-105 -134.11 68.0 73.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.473 ' CB ' ' HE2' ' A' ' 63' ' ' LYS . 18.5 Cg_endo -74.96 34.78 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.501 ' H ' ' C ' ' A' ' 68' ' ' TRP . 7.9 m -111.98 -47.82 3.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.3 m-85 55.69 161.93 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 171.59 67.35 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.028 -0.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.435 ' NE2' ' CD2' ' A' ' 68' ' ' TRP . 1.8 mt-30 -143.99 133.85 23.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.747 HD23 HG22 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -104.25 152.78 21.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.723 ' N ' HD12 ' A' ' 74' ' ' LEU . 91.7 m-85 -139.59 139.39 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 77' ' ' ARG . 12.9 p -136.91 164.88 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' N ' HG22 ' A' ' 76' ' ' VAL . 6.2 mmt180 -39.23 -40.96 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.38 -120.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.14 175.22 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 0.725 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.496 HD13 ' CE1' ' A' ' 75' ' ' TYR . 6.4 tp -58.86 104.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.415 HG21 HD21 ' A' ' 74' ' ' LEU . 61.1 t -45.88 -67.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.596 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 153.96 179.04 29.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.488 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -65.86 -165.73 1.7 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -66.32 -45.66 79.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.331 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -30.35 52.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.596 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -75.84 -67.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.747 HG22 HD23 ' A' ' 74' ' ' LEU . 82.0 t -40.52 -55.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -57.01 12.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -40.27 -50.97 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' LYS . 2.4 mm? -61.52 -67.78 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' LEU . 18.1 tptp -40.37 -49.92 2.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -53.15 -51.66 61.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -63.51 -42.18 98.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.91 42.87 2.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -145.85 56.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.6 tp -118.37 -40.11 2.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.7 tm? -53.66 -45.81 98.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.97 -10.32 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 111.025 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.0 mm -94.32 -31.79 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -80.09 -53.68 6.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.746 ' HE2' HG12 ' A' ' 45' ' ' VAL . 14.7 mmtt -50.85 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.52 -87.17 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -123.62 -64.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.3 p -147.63 104.02 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -99.41 109.06 3.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -52.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.3 p 56.19 172.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.94 84.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 110.02 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -59.91 127.65 32.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -83.14 169.58 15.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.16 -131.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 t -127.59 -57.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.69 134.74 14.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' HG12 ' A' ' 10' ' ' VAL . . . 170.86 140.31 2.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 62' ' ' LEU . 12.2 mt -94.2 -47.96 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -47.27 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.8 p -47.27 -54.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.59 HD21 ' CE2' ' A' ' 50' ' ' PHE . 5.2 tp -53.73 -52.22 60.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.9 p -63.89 -12.4 36.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -126.68 28.66 5.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' VAL . 6.0 tttm -74.0 -57.13 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . . . -118.3 155.25 30.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -40.0 -53.43 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG13 HD13 ' A' ' 74' ' ' LEU . 79.0 t -118.1 111.4 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.44 ' HE1' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -93.98 145.34 24.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.021 HD21 HD13 ' A' ' 36' ' ' ILE . 1.1 tm? -146.85 105.83 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 96.8 m-85 -98.46 123.78 42.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 33' ' ' SER . 4.3 ptm -149.64 178.39 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.594 ' HA ' HD21 ' A' ' 53' ' ' LEU . 7.7 ptmt -102.92 123.66 46.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.43 -16.88 37.52 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 57.24 174.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 0.815 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE2' ' CE1' ' A' ' 47' ' ' TYR . 6.8 mtmt -46.56 -35.6 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -58.26 -63.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.81 123.38 46.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . -139.35 -144.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm 66.67 41.87 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -133.72 117.59 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.63 -92.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' CYS . 93.2 m-85 -137.07 19.77 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.461 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 2.9 p -57.0 -46.08 82.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.553 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -80.76 -50.78 9.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -39.4 -58.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.021 HD13 HD21 ' A' ' 19' ' ' LEU . 7.6 tt -56.39 -40.97 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LYS . 8.1 mt -61.93 -45.52 93.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -56.18 -43.29 78.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.812 HG23 ' HE3' ' A' ' 91' ' ' LYS . 46.7 mt -74.94 -46.44 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -50.04 -23.6 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -91.62 -55.35 3.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.79 -40.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 p -44.99 -42.89 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.34 -2.13 67.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.819 HG12 ' HE3' ' A' ' 101' ' ' LYS . 13.0 m -83.47 -169.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.49 128.71 56.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 10.8 p90 -142.9 171.77 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . 3.5 mm-40 -144.57 167.88 21.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -127.49 163.75 23.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CE2' HD21 ' A' ' 11' ' ' LEU . 80.9 t80 -137.48 167.56 21.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.6 115.5 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -93.31 -27.08 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -64.4 -73.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.75 -68.86 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.89 89.11 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.8 -46.89 56.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.88 -42.64 5.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.484 HG13 ' CD2' ' A' ' 8' ' ' LEU . 79.5 t -78.73 -38.66 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -40.86 -45.35 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -91.77 -36.45 13.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -59.83 -30.67 69.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.566 ' HA ' HD13 ' A' ' 8' ' ' LEU . 1.4 mt -79.51 -67.38 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -39.72 -41.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 m -68.95 -45.34 70.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.0 t80 -46.9 -64.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -79.23 -30.02 43.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 66' ' ' SER . 40.6 t30 80.39 37.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.422 ' O ' ' CD1' ' A' ' 68' ' ' TRP . 23.9 t-105 -138.35 79.01 31.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 18.4 Cg_endo -75.0 0.66 8.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.1 m -82.59 64.54 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.521 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 9.1 m-85 -67.41 159.7 76.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.98 -176.69 18.58 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.028 -0.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -159.38 136.54 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.862 HD12 ' H ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -97.65 158.76 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.862 ' H ' HD12 ' A' ' 74' ' ' LEU . 5.9 m-85 -131.79 127.73 37.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.644 ' CG2' HG21 ' A' ' 81' ' ' VAL . 87.9 t -126.93 125.83 67.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 69.74 -66.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.5 -41.85 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -74.3 134.82 42.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.747 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 132.6 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.644 HG21 ' CG2' ' A' ' 76' ' ' VAL . 39.5 t -87.16 -61.64 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.594 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.47 -174.14 34.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.666 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -96.37 -141.36 11.94 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.14 -60.17 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.52 -33.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.594 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.1 mp -86.3 -66.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 83' ' ' GLY . 49.6 t -39.7 -58.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -50.09 -51.71 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 8.9 tt0 -42.46 -46.4 4.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.554 ' HB2' HD13 ' A' ' 96' ' ' LEU . 1.7 mm? -72.28 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.812 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -45.64 -66.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -42.11 -57.06 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 89' ' ' GLU . 61.0 m-20 -52.9 -40.72 63.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 91' ' ' LYS . . . 105.18 37.3 2.71 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -141.42 54.72 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 90' ' ' LEU . 7.0 tp -125.44 -43.96 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tm? -52.39 -46.08 94.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.03 -20.78 16.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.575 1.829 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -81.51 -40.54 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.472 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -71.35 -55.75 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.819 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.2 mmpt? -39.8 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.52 -70.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.55 160.07 14.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.8 t -96.09 139.82 31.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -130.27 156.65 21.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 84.37 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.86 80.1 9.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 39.1 m 43.56 78.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -125.34 97.87 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.6 88.1 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.97 -165.48 29.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.99 89.68 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -68.66 152.99 44.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.91 148.5 10.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.804 ' CD2' HG13 ' A' ' 58' ' ' VAL . 21.8 mt -88.65 -55.01 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -51.38 -47.52 62.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.59 -32.36 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.532 HD11 ' CD1' ' A' ' 50' ' ' PHE . 33.1 tp -75.92 -45.53 34.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 8' ' ' LEU . 71.0 p -68.22 -12.91 61.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -115.98 23.75 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.89 158.83 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.462 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -44.27 -49.85 9.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 90.1 t -119.49 112.95 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.517 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.61 143.26 27.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.011 HD21 HD13 ' A' ' 36' ' ' ILE . 1.9 tm? -142.4 106.3 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 12' ' ' THR . 73.7 m-85 -97.93 104.89 16.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.1 ptm -127.95 164.51 22.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.775 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.3 OUTLIER -96.66 107.23 19.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.71 -19.08 4.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER 58.65 158.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.67 -30.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 24' ' ' ASN . 66.2 mm-40 -55.35 -62.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.62 145.46 48.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB2' ' HD2' ' A' ' 34' ' ' LYS . . . -110.53 -159.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.61 29.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.6 m 61.64 107.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 108.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 68.31 177.46 13.02 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 51.97 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 0.793 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.7 OUTLIER -54.74 -33.41 61.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HD2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -87.03 -43.17 12.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -61.51 -60.48 3.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.011 HD13 HD21 ' A' ' 19' ' ' LEU . 5.4 tt -41.48 -44.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.761 HD21 HG21 ' A' ' 49' ' ' THR . 6.7 mt -59.6 -62.17 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -46.43 -37.32 7.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.623 HG23 ' HD3' ' A' ' 91' ' ' LYS . 69.8 mt -73.15 -52.73 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.656 HD11 HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -52.55 -24.76 8.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.56 -45.24 9.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -46.02 26.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -41.82 -37.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.9 -4.5 71.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.908 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.7 m -81.7 -170.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 16' ' ' SER . 12.7 pt-20 -108.18 137.04 46.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.427 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 10.7 p90 -150.82 174.86 12.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -147.91 164.67 33.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.761 HG21 HD21 ' A' ' 37' ' ' LEU . 23.5 p -125.24 145.29 50.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 11' ' ' LEU . 86.4 t80 -119.73 167.14 12.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.506 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 15.3 p-10 -99.4 111.06 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.775 HD11 ' HB3' ' A' ' 22' ' ' LYS . 1.2 pp -90.88 -28.63 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.79 -68.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -39.13 -55.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.68 103.12 15.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.55 -45.65 17.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -48.72 -43.34 37.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.804 HG13 ' CD2' ' A' ' 8' ' ' LEU . 70.8 t -75.42 -33.45 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -53.14 -60.88 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.461 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 4.4 pt20 -70.77 -31.21 67.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.21 -44.2 94.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.61 HD12 HG12 ' A' ' 58' ' ' VAL . 5.4 mt -64.74 -65.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.76 -36.55 5.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.4 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 8.8 m -73.53 -35.88 65.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' LEU . 1.9 t80 -51.69 -42.17 61.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -122.32 16.56 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.037 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' LYS . 21.8 t-20 42.22 37.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -129.51 82.68 66.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HA ' ' CB ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.0 -18.67 18.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.6 m -57.67 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.554 ' CD1' ' OE1' ' A' ' 73' ' ' GLN . 6.8 m-85 -95.18 163.31 22.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -75.01 178.32 35.21 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.005 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.554 ' OE1' ' CD1' ' A' ' 71' ' ' TYR . 18.3 mt-30 -139.3 134.03 32.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.894 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -100.63 135.31 42.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.894 ' N ' HD12 ' A' ' 74' ' ' LEU . 68.3 m-85 -129.74 136.47 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.476 HG22 ' H ' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -133.26 177.68 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.476 ' H ' HG22 ' A' ' 76' ' ' VAL . 7.0 mmt180 -69.76 59.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.47 -119.24 0.48 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -115.13 149.77 37.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 75' ' ' TYR . 5.3 tt -42.55 110.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.3 t -59.77 -59.63 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.468 ' N ' HD23 ' A' ' 80' ' ' LEU . . . 149.96 -158.58 27.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.44 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -103.73 -152.99 23.28 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.33 -59.93 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -41.63 -45.77 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.487 HG23 HD11 ' A' ' 90' ' ' LEU . 1.1 mp -65.28 -67.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.611 HG22 HD23 ' A' ' 74' ' ' LEU . 56.1 t -43.0 -55.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -56.58 17.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 18.6 tt0 -44.2 -67.15 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.487 HD11 HG23 ' A' ' 86' ' ' ILE . 2.4 mt -48.26 -60.9 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.623 ' HD3' HG23 ' A' ' 39' ' ' ILE . 4.3 tptp -45.34 -35.52 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 9.3 t0 -56.41 -65.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 90' ' ' LEU . 27.6 p30 -67.48 -19.26 65.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . 84.85 54.87 2.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -134.86 37.61 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 87' ' ' VAL . 4.6 tp -116.88 -38.24 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tm? -54.9 -45.01 99.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.02 -28.2 9.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.4 mm -76.34 -33.14 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.606 HD11 HD21 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -76.37 -61.06 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.364 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.908 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -38.48 -70.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . 104.57 79.99 1.36 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' GLY . 3.1 tt0 37.09 76.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.2 p -171.58 151.03 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.09 88.47 0.89 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 87.26 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.2 m -150.59 159.34 44.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.973 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.06 155.56 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -76.71 131.95 39.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 110.021 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.82 116.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.44 -174.46 13.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.0 150.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.32 -57.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.085 . . . . 0.0 109.975 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.58 143.88 9.8 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.504 1.128 . . . . 0.0 110.958 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.637 HD21 HG13 ' A' ' 58' ' ' VAL . 10.8 mt -89.12 -54.13 4.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -45.37 -49.55 12.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.16 -39.18 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.83 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -67.3 -46.55 73.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -73.63 -5.56 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -128.22 18.87 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -57.47 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.74 176.83 4.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -59.99 -59.69 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.751 HG13 HD13 ' A' ' 74' ' ' LEU . 54.5 t -111.76 112.72 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.548 ' HE1' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -93.2 134.33 35.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.014 HD21 HD13 ' A' ' 36' ' ' ILE . 2.2 tm? -137.64 107.06 6.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 50' ' ' PHE . 69.4 m-85 -98.1 124.87 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.4 ' CE ' ' HB3' ' A' ' 33' ' ' SER . 3.5 ptt? -148.85 178.19 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.619 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -105.29 121.92 44.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 24' ' ' ASN . . . 120.65 -20.96 8.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER 58.89 157.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HG3' HG21 ' A' ' 49' ' ' THR . 3.7 mtmt -42.92 -40.1 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -44.12 -51.26 8.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -137.13 133.33 35.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . -109.5 -167.76 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -110.58 -37.64 5.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 5.4 t 85.64 57.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.93 -36.89 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -135.38 -73.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.761 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.4 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 1.4 m -42.51 -43.18 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 2.4 tttp -75.81 -48.22 22.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.8 -70.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.014 HD13 HD21 ' A' ' 19' ' ' LEU . 4.1 tt -42.87 -41.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.23 -61.86 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -42.8 -38.6 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.014 HG23 ' HE3' ' A' ' 91' ' ' LYS . 5.3 mt -75.96 -51.0 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.668 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.84 -23.06 11.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.426 ' OD1' ' CZ ' ' A' ' 47' ' ' TYR . 1.4 m-20 -92.95 -38.3 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -51.51 -25.96 7.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.67 HG21 HD23 ' A' ' 100' ' ' LEU . 3.2 p -67.19 -31.07 71.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.71 -7.69 68.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.432 1.083 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.805 HG12 ' HE3' ' A' ' 101' ' ' LYS . 27.7 m -71.89 -170.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.86 134.63 45.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.455 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . 31.7 p90 -150.2 176.9 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.29 -176.78 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.483 HG21 ' HG3' ' A' ' 25' ' ' LYS . 27.3 p -143.05 163.98 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.83 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 83.6 t80 -145.6 167.13 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 12.0 t0 -102.25 124.88 48.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -101.68 -21.85 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -69.21 -67.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.54 -66.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.65 87.44 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' ARG . 18.7 mt-10 -63.84 -50.77 67.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -42.82 -44.82 4.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.637 HG13 HD21 ' A' ' 8' ' ' LEU . 85.1 t -67.72 -39.81 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' GLU . 49.9 ttt180 -46.37 -52.1 13.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 2.3 mt-30 -88.7 -23.34 23.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.501 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -70.67 -26.86 73.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.629 ' HG ' HD22 ' A' ' 8' ' ' LEU . 4.8 mt -88.11 -63.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -41.72 -36.62 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.8 m -70.49 -61.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -40.5 -59.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 0.1 OUTLIER -76.66 -29.48 56.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.4 t30 76.22 38.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.74 ' CB ' HD21 ' A' ' 80' ' ' LEU . 1.9 t-105 -152.44 95.02 3.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.48 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -38.33 103.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.483 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 1.5 m-85 -107.52 165.76 12.23 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HG2' HD12 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.01 -173.43 12.32 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.805 ' CD ' HD11 ' A' ' 80' ' ' LEU . 30.0 mt-30 -158.43 135.83 10.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.93 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -99.24 156.35 17.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.867 ' H ' HD12 ' A' ' 74' ' ' LEU . 1.5 m-85 -127.62 125.65 40.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 99' ' ' ILE . 70.1 t -137.86 132.83 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 45.01 29.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.61 38.81 78.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' VAL . 19.9 t70 -124.38 134.79 53.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.805 HD11 ' CD ' ' A' ' 73' ' ' GLN . 33.5 tp -82.07 93.78 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.93 HG22 ' O ' ' A' ' 74' ' ' LEU . 2.7 m -44.82 -65.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.718 ' H ' HG23 ' A' ' 81' ' ' VAL . . . 143.05 -179.59 20.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -49.7 -178.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 85' ' ' ASP . 0.8 OUTLIER -62.14 -54.31 42.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.54 ' N ' HD13 ' A' ' 84' ' ' LEU . 22.5 m-20 -48.15 -35.19 11.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.647 HG22 ' N ' ' A' ' 87' ' ' VAL . 0.9 OUTLIER -64.58 -72.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.647 ' N ' HG22 ' A' ' 86' ' ' ILE . 72.0 t -40.42 -56.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -48.5 -49.29 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -45.67 -58.75 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.722 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.9 mm? -47.1 -40.2 14.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 1.014 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -66.27 -48.79 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.8 -45.96 81.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -69.51 -58.15 4.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.17 55.33 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 2.3 mt-10 -148.14 51.16 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.016 ' O ' HD22 ' A' ' 100' ' ' LEU . 4.1 tp -118.93 -63.54 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.7 HD13 ' HG3' ' A' ' 101' ' ' LYS . 2.1 tm? -48.57 -46.72 70.9 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.06 -9.41 20.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.779 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 8.9 mm -95.49 -38.03 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.016 HD22 ' O ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -76.72 -47.77 20.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.805 ' HE3' HG12 ' A' ' 45' ' ' VAL . 2.6 mmpt? -45.39 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 172.91 -79.25 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -144.19 -177.29 5.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.734 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.75 122.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.04 73.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.86 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.8 -67.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 p -88.12 -42.58 12.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 62.01 116.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.009 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -110.98 154.37 24.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.21 -139.4 7.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.88 153.29 20.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.75 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.82 136.63 54.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' C ' HG12 ' A' ' 10' ' ' VAL . . . 152.39 129.58 1.48 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.679 ' CD2' HG13 ' A' ' 58' ' ' VAL . 10.6 mt -93.0 -54.19 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -48.79 15.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG12 ' C ' ' A' ' 7' ' ' GLY . 6.1 p -46.98 -42.68 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.511 HD21 ' CD1' ' A' ' 50' ' ' PHE . 39.4 tp -62.1 -62.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.415 ' CG2' HD21 ' A' ' 62' ' ' LEU . 44.0 p -53.68 -22.48 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -108.12 25.66 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -70.24 -59.16 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.57 167.35 10.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -54.86 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 90.8 t -120.34 118.48 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.1 mmm -102.6 150.68 23.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 36' ' ' ILE . 1.4 tm? -148.86 105.85 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.362 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -94.02 131.54 39.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.614 ' SD ' HD11 ' A' ' 37' ' ' LEU . 21.4 ptm -159.67 176.13 12.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -100.99 111.52 23.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 24' ' ' ASN . . . 133.17 -38.53 1.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.427 1.08 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER 77.21 164.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 0.726 . . . . 0.0 109.258 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -47.87 -45.16 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -43.2 -49.34 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.72 99.5 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -74.71 -19.6 60.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER 89.04 -36.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 3.8 t 89.63 142.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 108.258 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 82.56 109.6 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.839 ' CE1' HD12 ' A' ' 84' ' ' LEU . 0.2 OUTLIER 67.45 -67.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.744 . . . . 0.0 110.943 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.636 ' O ' HD13 ' A' ' 37' ' ' LEU . 11.2 m -52.35 -59.22 4.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.046 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -64.46 -33.2 75.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -47.49 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 110.24 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.936 HD13 HD21 ' A' ' 19' ' ' LEU . 6.8 tt -40.64 -51.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 33' ' ' SER . 7.1 mp -48.3 -61.55 1.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -46.53 -47.76 19.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.969 HG23 ' HE2' ' A' ' 91' ' ' LYS . 22.8 mt -62.54 -47.04 94.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.762 HD11 HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -59.65 -22.56 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -92.15 -39.78 11.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.1 -45.92 61.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.958 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.488 HG21 HD23 ' A' ' 100' ' ' LEU . 3.3 p -47.0 -31.15 3.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.45 -21.92 29.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.566 HG12 ' HE2' ' A' ' 101' ' ' LYS . 20.0 m -55.95 -172.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 9.0 pt-20 -114.79 122.25 45.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 8.1 p90 -134.61 173.93 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -145.82 166.55 25.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.2 p -126.17 166.87 16.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.511 ' CD1' HD21 ' A' ' 11' ' ' LEU . 91.8 t80 -135.89 159.45 41.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -99.82 111.66 23.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -91.02 -22.71 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -62.57 -68.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -43.34 -69.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.65 95.86 8.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.93 -40.04 65.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -50.91 -43.64 59.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.679 HG13 ' CD2' ' A' ' 8' ' ' LEU . 85.1 t -66.69 -40.32 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -59.0 -49.75 76.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -75.13 -30.28 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.43 ' C ' ' CD1' ' A' ' 8' ' ' LEU . . . -73.51 -34.79 56.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.61 HD12 HG12 ' A' ' 58' ' ' VAL . 5.4 mt -68.96 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -49.86 -38.79 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.411 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 7.3 m -69.17 -24.05 64.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -88.53 -55.53 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 3.8 m -72.01 -29.64 64.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LYS . 9.3 t-20 74.61 33.31 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.413 ' NE1' ' O ' ' A' ' 70' ' ' THR . 28.5 t-105 -147.85 85.75 6.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 108.025 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -6.35 17.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.413 ' O ' ' NE1' ' A' ' 68' ' ' TRP . 4.2 m -82.9 81.31 8.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.484 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 2.8 m-85 -71.11 164.54 55.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.2 Cg_endo -75.02 -173.98 13.31 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.003 0.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.453 ' O ' HD22 ' A' ' 19' ' ' LEU . 8.5 mt-30 -136.93 159.47 41.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -124.96 130.53 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.82 ' N ' HD13 ' A' ' 74' ' ' LEU . 94.1 m-85 -126.93 127.06 44.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.697 HG23 ' CD1' ' A' ' 74' ' ' LEU . 69.4 t -137.24 138.78 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.73 -71.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -167.37 -41.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -76.29 159.96 30.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.94 133.05 35.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.419 ' CG2' HD12 ' A' ' 74' ' ' LEU . 97.9 t -84.46 -60.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.654 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 163.01 -171.08 38.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.416 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -97.35 -165.42 32.26 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.839 HD12 ' CE1' ' A' ' 32' ' ' PHE . 2.1 tm? -53.54 -58.38 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.417 ' N ' HD13 ' A' ' 84' ' ' LEU . 15.8 m-20 -44.37 -36.71 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.654 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -76.75 -64.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 40' ' ' LEU . 70.0 t -41.87 -49.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -49.36 77.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -47.31 -52.9 14.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.699 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.7 mm? -59.34 -60.54 3.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.969 ' HE2' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -46.06 -58.41 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -44.11 -63.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -54.08 -36.78 63.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.2 37.98 3.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -134.38 52.19 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 90' ' ' LEU . 5.5 tp -129.66 -45.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 101' ' ' LYS . 2.1 tm? -52.9 -46.28 97.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.0 -9.4 20.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mm -94.02 -39.13 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.525 HD21 ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -76.19 -48.23 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.644 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -46.16 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.47 -78.07 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -137.92 171.79 13.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.7 t -64.38 96.2 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.84 99.69 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.423 1.077 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 124.62 8.74 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.6 t -92.53 144.3 25.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -55.0 6.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.26 -59.78 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.37 99.69 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.62 -133.68 30.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.25 100.54 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.92 119.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' CA ' ' CG1' ' A' ' 10' ' ' VAL . . . -108.59 90.81 0.63 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.608 HD22 ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -89.31 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.91 -42.3 26.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.445 ' CG1' ' CA ' ' A' ' 7' ' ' GLY . 2.2 p -60.25 -35.21 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' LYS . 29.9 tp -68.12 -65.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.622 HG22 ' CE2' ' A' ' 20' ' ' PHE . 76.4 p -50.38 -22.07 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -109.84 32.57 4.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.1 tttm -73.77 -66.35 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.28 -178.81 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.14 -34.98 79.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG13 HD13 ' A' ' 74' ' ' LEU . 64.9 t -133.11 108.4 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.457 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.69 131.82 37.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.894 HD21 HD13 ' A' ' 36' ' ' ILE . 2.6 tm? -133.65 105.73 7.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.622 ' CE2' HG22 ' A' ' 12' ' ' THR . 84.5 m-85 -90.23 113.48 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.508 ' HE1' ' HB2' ' A' ' 28' ' ' ALA . 23.4 ptm -140.82 174.9 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.669 ' HA ' HD21 ' A' ' 53' ' ' LEU . 16.3 ptmt -115.64 134.11 55.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . 102.65 13.14 30.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 54.7 -179.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' CE ' ' OG1' ' A' ' 49' ' ' THR . 0.4 OUTLIER -67.27 -47.42 70.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -52.28 -62.12 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -79.56 104.95 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB2' ' HE1' ' A' ' 21' ' ' MET . . . -162.66 -165.21 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 87.73 35.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 m -96.54 25.25 5.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 108.267 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.72 46.83 92.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 170.37 -31.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.45 -44.5 14.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 29' ' ' LYS . 5.0 tptm -76.61 -51.37 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HB3' HD21 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -37.59 -64.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.894 HD13 HD21 ' A' ' 19' ' ' LEU . 5.7 tt -48.56 -44.15 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' LYS . 3.6 mt -62.53 -61.92 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.9 -38.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.894 HG23 ' HE3' ' A' ' 91' ' ' LYS . 5.5 mt -78.24 -53.43 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.597 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -47.29 -30.0 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' OD1' ' CE2' ' A' ' 47' ' ' TYR . 3.0 m-20 -84.54 -35.97 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' ILE . 70.2 m -51.44 -45.73 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.741 HG21 HD23 ' A' ' 100' ' ' LEU . 18.2 p -48.44 -31.03 5.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.41 -7.19 61.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.757 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.1 m -73.64 -170.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -103.45 132.69 49.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CE2' ' OD1' ' A' ' 41' ' ' ASN . 8.9 p90 -143.37 173.8 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -149.65 175.47 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.498 ' OG1' ' CE ' ' A' ' 25' ' ' LYS . 39.9 p -134.77 154.55 51.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.422 ' CD1' HD11 ' A' ' 11' ' ' LEU . 89.6 t80 -128.79 166.77 18.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.37 99.56 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.35 -19.53 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.669 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -70.1 -65.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -41.86 -84.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.27 111.31 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -82.14 -51.58 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -46.38 -42.0 14.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.69 HG12 HD12 ' A' ' 62' ' ' LEU . 48.8 t -65.78 -41.1 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -59.83 -65.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.5 -39.66 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.31 -38.1 81.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.69 HD12 HG12 ' A' ' 58' ' ' VAL . 10.6 mt -70.53 -63.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -45.06 -31.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.2 m -81.71 -51.95 7.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.608 ' CD1' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -40.36 -33.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.659 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -113.43 -30.29 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 63' ' ' LYS . 34.0 t30 79.76 40.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.511 ' C ' ' H ' ' A' ' 70' ' ' THR . 8.6 t-105 -135.61 71.57 64.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 31.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 68' ' ' TRP . 99.2 m -97.99 -56.05 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.507 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.9 m-85 55.5 161.93 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.1 Cg_endo -75.04 164.58 88.06 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.973 0.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.708 ' NE2' HD11 ' A' ' 80' ' ' LEU . 2.8 mt-30 -137.69 154.67 49.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -113.22 140.2 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.651 ' N ' HD12 ' A' ' 74' ' ' LEU . 13.1 m-85 -124.93 130.73 52.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 77' ' ' ARG . 76.5 t -125.05 161.74 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' N ' HG12 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -41.11 -45.07 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.42 -108.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -128.42 171.92 11.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.708 HD11 ' NE2' ' A' ' 73' ' ' GLN . 4.4 tp -54.83 127.87 30.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.444 ' CG2' ' HG ' ' A' ' 74' ' ' LEU . 18.5 t -74.71 -63.08 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.708 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 148.39 -179.32 25.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.1 -173.5 20.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 35' ' ' GLN . 33.7 tp -57.1 -52.73 64.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.23 -36.16 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.708 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -74.33 -64.47 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.407 ' N ' HG22 ' A' ' 86' ' ' ILE . 78.9 t -43.11 -59.9 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -54.41 6.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -44.37 -57.01 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.611 ' HB2' HD13 ' A' ' 96' ' ' LEU . 3.3 mm? -55.32 -55.92 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.894 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.08 -55.59 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.2 -54.92 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -54.5 -54.2 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.71 36.99 0.93 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 0.9 OUTLIER -140.29 51.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.263 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' A' ' 90' ' ' LEU . 5.5 tp -122.6 -42.55 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.612 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.0 tm? -52.78 -45.96 96.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.02 -19.92 17.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 95' ' ' GLU . 38.6 mm -82.54 -39.95 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.741 HD23 HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -72.8 -54.48 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.757 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -39.99 -66.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.26 83.47 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -116.87 152.21 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.46 -61.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.39 -147.76 12.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.61 5.22 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.534 1.808 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.72 -65.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.96 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.8 m 57.2 86.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.31 111.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -168.09 -60.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.051 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.67 -169.21 19.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.68 -62.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 p -97.54 148.9 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.45 144.93 9.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.77 HD21 ' HA ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -93.65 -64.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.34 -46.8 4.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' LYS . 8.1 p -56.21 -47.7 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.88 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 1.7 mt -48.59 -57.78 5.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 p -60.51 -21.33 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -115.99 34.14 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -86.83 -55.34 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -117.22 155.77 28.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -38.98 -62.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.417 HG22 ' OE2' ' A' ' 103' ' ' GLU . 98.7 t -111.2 117.56 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.734 ' HE3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -98.45 141.95 30.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.879 HD21 HD13 ' A' ' 36' ' ' ILE . 1.5 tm? -143.16 104.27 4.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 95.0 m-85 -93.2 131.01 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.4 ptm -146.76 178.8 8.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.863 ' CG ' HD11 ' A' ' 52' ' ' ILE . 19.9 mttp -109.65 105.33 14.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 24' ' ' ASN . . . 130.73 -33.37 2.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER 79.06 160.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -32.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -48.39 -56.46 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -137.09 133.13 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.798 ' HB1' ' OG ' ' A' ' 33' ' ' SER . . . -106.64 108.12 19.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.63 33.4 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.7 t -108.1 66.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 108.325 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.95 91.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 52.67 53.31 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 111.01 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.798 ' OG ' ' HB1' ' A' ' 28' ' ' ALA . 11.1 p -79.63 -63.82 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' N ' ' OG ' ' A' ' 33' ' ' SER . 5.9 pttp -38.68 -40.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -43.64 -61.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.879 HD13 HD21 ' A' ' 19' ' ' LEU . 6.2 tt -53.24 -38.94 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.674 HD12 ' CG2' ' A' ' 36' ' ' ILE . 9.3 mp -64.06 -49.18 73.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.84 -40.02 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.576 HG23 ' CE ' ' A' ' 91' ' ' LYS . 24.3 mt -73.42 -50.06 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.655 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -51.35 -22.56 2.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -90.04 -40.67 12.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.15 -44.44 21.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 100' ' ' LEU . 4.8 p -48.87 -49.54 39.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.87 -18.03 22.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 101' ' ' LYS . 34.2 m -65.6 -179.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -113.09 122.7 48.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 47' ' ' TYR . 4.8 p90 -128.94 171.08 12.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -139.33 164.89 28.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.6 p -124.16 156.4 36.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.39 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.88 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 86.7 t80 -130.05 167.71 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 14.5 t0 -105.82 115.19 29.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.863 HD11 ' CG ' ' A' ' 22' ' ' LYS . 2.6 pt -91.36 -30.46 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -55.13 -64.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.16 55.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.665 ' OD1' HG23 ' A' ' 58' ' ' VAL . 2.1 t0 173.95 49.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.73 -39.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -55.99 -50.34 71.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.665 HG23 ' OD1' ' A' ' 55' ' ' ASP . 54.7 t -67.71 -37.05 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -58.76 -52.39 65.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.471 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 8.3 pt20 -73.31 -36.11 66.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.8 -38.57 96.35 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.77 ' HA ' HD21 ' A' ' 8' ' ' LEU . 7.5 mt -69.59 -66.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -42.45 -44.94 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.7 m -65.82 -40.8 92.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.9 t80 -45.77 -56.03 5.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.517 ' HB3' HD22 ' A' ' 80' ' ' LEU . 17.0 m -110.34 19.55 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.1 m120 40.58 43.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.507 ' C ' ' H ' ' A' ' 70' ' ' THR . 52.5 t-105 -127.05 73.64 76.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.001 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HA ' ' CB ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.05 29.68 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.507 ' H ' ' C ' ' A' ' 68' ' ' TRP . 80.9 p -121.36 92.62 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.608 ' CE2' HD13 ' A' ' 52' ' ' ILE . 4.9 m-85 -82.67 163.3 52.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.95 -174.97 15.05 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.027 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -136.15 157.24 47.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -128.25 136.1 50.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.731 ' N ' HD13 ' A' ' 74' ' ' LEU . 63.3 m-85 -128.22 127.16 42.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.549 HG23 HD12 ' A' ' 74' ' ' LEU . 96.1 t -136.59 136.47 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 69.71 -65.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.34 -44.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.42 145.13 37.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 66' ' ' SER . 1.7 tp -61.06 143.97 54.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.421 HG21 ' CG2' ' A' ' 76' ' ' VAL . 79.7 t -97.57 -56.35 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.622 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 150.85 -169.92 30.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.55 -167.95 32.52 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.517 HD13 ' C ' ' A' ' 84' ' ' LEU . 3.1 tm? -45.84 -63.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -39.74 -37.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.622 HG21 ' HA3' ' A' ' 82' ' ' GLY . 1.0 OUTLIER -79.06 -67.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.568 HG22 ' HG ' ' A' ' 74' ' ' LEU . 75.6 t -40.04 -53.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -52.7 58.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -42.19 -50.47 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.556 ' HB2' HD13 ' A' ' 96' ' ' LEU . 2.9 mm? -62.56 -62.78 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.576 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -45.86 -61.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.75 -61.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -52.88 -30.15 32.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' LYS . . . 91.28 44.08 4.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -140.24 45.96 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.556 HD13 ' HB2' ' A' ' 90' ' ' LEU . 5.0 tp -123.88 -42.31 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.42 -46.03 98.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.01 -12.16 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.3 mm -87.19 -39.45 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.698 HD13 ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -80.3 -52.78 7.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.515 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -53.2 -44.97 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -89.27 35.69 3.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.417 ' OE2' HG22 ' A' ' 17' ' ' VAL . 1.7 mt-10 -57.78 174.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.346 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.67 117.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.7 176.85 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 159.74 41.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.6 m -149.94 115.86 5.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 t 58.13 168.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.58 154.28 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.51 174.47 5.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.23 83.56 0.34 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t 51.62 64.86 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -174.4 149.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.493 ' CA ' ' CG1' ' A' ' 10' ' ' VAL . . . -90.77 80.35 1.36 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.689 HD12 HG13 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -85.64 -64.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.329 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.06 -40.6 45.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.493 ' CG1' ' CA ' ' A' ' 7' ' ' GLY . 2.6 p -65.11 -37.17 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.683 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 2.3 mt -59.26 -41.75 89.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 8' ' ' LEU . 28.4 p -72.61 -41.65 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.524 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 12.4 p30 -93.5 21.96 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' VAL . 3.9 ttmt -69.03 -61.38 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.716 ' HB3' ' HG2' ' A' ' 48' ' ' GLU . . . -113.4 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -49.84 69.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.8 t -120.48 111.21 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -96.54 138.08 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.043 HD21 HD13 ' A' ' 36' ' ' ILE . 2.3 tm? -137.73 105.59 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 96.4 m-85 -98.46 113.52 25.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.451 ' CE ' ' O ' ' A' ' 22' ' ' LYS . 12.2 ptm -141.19 178.54 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -102.36 117.72 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.69 -23.47 11.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 60.38 -179.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.692 ' HG3' HG21 ' A' ' 49' ' ' THR . 12.8 mtmt -58.84 -40.73 85.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' LYS . 81.8 mm-40 -38.64 -44.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.64 140.4 14.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.11 139.88 46.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -59.07 2.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.19 -74.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.248 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 32' ' ' PHE . . . -113.41 163.92 12.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER 74.16 -56.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 110.967 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.513 ' O ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -66.53 -71.5 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.976 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -48.13 -32.55 7.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . 45.3 mm-40 -53.39 -71.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.043 HD13 HD21 ' A' ' 19' ' ' LEU . 4.6 tt -38.95 -41.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD12 ' CG2' ' A' ' 36' ' ' ILE . 9.3 mp -62.49 -56.68 15.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.91 -45.75 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.832 HG23 ' HE3' ' A' ' 91' ' ' LYS . 13.2 mt -71.92 -48.82 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.61 HD11 ' CD2' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -54.51 -30.12 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -88.65 -26.77 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -60.94 -30.23 70.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 100' ' ' LEU . 24.4 p -67.18 -29.47 69.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.8 17.23 73.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.732 HG12 ' HE3' ' A' ' 101' ' ' LYS . 18.8 m -97.66 174.98 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' N ' ' CD ' ' A' ' 46' ' ' GLU . 18.0 mp0 -72.21 131.01 42.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 7.1 p90 -151.42 168.72 23.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.716 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 7.6 pt-20 -144.14 -177.3 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.692 HG21 ' HG3' ' A' ' 25' ' ' LYS . 2.3 p -148.64 142.0 25.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.683 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 74.2 t80 -123.84 167.24 14.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -105.99 112.77 25.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.74 -26.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -60.44 -71.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.74 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.16 89.96 1.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.17 -57.78 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 61' ' ' GLY . 4.5 mt-10 -39.07 -54.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.689 HG13 HD12 ' A' ' 8' ' ' LEU . 69.6 t -54.84 -50.32 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -28.33 61.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -91.1 -17.8 25.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' GLU . . . -97.24 -16.28 35.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.632 ' HA ' HD21 ' A' ' 8' ' ' LEU . 5.5 mt -83.92 -25.99 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 69' ' ' PRO . 3.0 pttt -79.33 -36.42 39.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 m -79.68 -11.93 59.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -73.84 -44.92 54.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.706 ' CB ' HD22 ' A' ' 80' ' ' LEU . 26.0 m -122.33 15.56 10.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 48.26 34.53 4.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.48 ' CD1' ' HB ' ' A' ' 70' ' ' THR . 5.1 t-105 -128.14 84.31 63.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.992 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.07 -4.29 15.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.48 ' HB ' ' CD1' ' A' ' 68' ' ' TRP . 29.6 m -78.73 128.46 33.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.494 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 3.7 m-85 -122.09 163.55 31.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.586 ' HG2' HD12 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.93 172.95 60.34 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.042 -0.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.422 ' NE2' ' CD1' ' A' ' 68' ' ' TRP . 3.5 mt-30 -127.06 145.96 50.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.719 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -106.44 126.58 52.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.719 ' N ' HD13 ' A' ' 74' ' ' LEU . 25.3 m-85 -123.82 133.21 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 77' ' ' ARG . 38.9 t -130.29 163.85 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.451 ' N ' HG12 ' A' ' 76' ' ' VAL . 4.4 tpt180 -71.23 62.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.0 -97.8 0.11 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -125.05 134.01 52.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.706 HD22 ' CB ' ' A' ' 66' ' ' SER . 4.8 tp -45.52 115.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.416 ' CG2' HD12 ' A' ' 74' ' ' LEU . 94.5 t -59.43 -66.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.408 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 151.35 -173.8 30.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.446 1.091 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.29 -174.58 35.16 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.2 tm? -54.21 -48.13 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.79 -35.63 23.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.605 HG23 HD11 ' A' ' 90' ' ' LEU . 1.1 mp -77.56 -62.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.433 HG11 HD21 ' A' ' 40' ' ' LEU . 84.7 t -41.94 -54.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.5 -58.95 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.1 tp10 -44.89 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.605 HD11 HG23 ' A' ' 86' ' ' ILE . 1.2 mt -40.96 -54.66 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.832 ' HE3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -54.76 -42.22 71.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' GLU . 16.0 t0 -60.22 -45.48 93.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.42 -35.31 73.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.04 24.21 7.75 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.23 53.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.803 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.3 tp -131.95 -45.4 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -52.29 -46.26 94.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -14.95 21.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.547 1.814 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.22 -40.57 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -72.13 -51.16 22.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.732 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -40.8 -76.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -167.42 -83.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.46 157.41 16.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.0 m -81.75 130.18 34.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.63 157.13 18.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 72.8 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.3 t 60.14 167.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 t -112.6 116.99 31.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t -146.29 131.32 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.001 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.66 123.78 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.85 162.67 19.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 p -136.43 15.26 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.21 -47.47 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.978 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.81 111.57 0.07 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.673 ' CD1' HG13 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -92.12 -65.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 109.284 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -42.36 -44.41 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 11' ' ' LEU . 13.0 p -63.67 -49.91 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.876 HD11 ' CE1' ' A' ' 50' ' ' PHE . 1.2 mt -51.24 -68.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.545 HG22 HD21 ' A' ' 62' ' ' LEU . 59.2 p -43.47 -29.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.423 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' VAL . 48.3 m-20 -117.19 50.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.604 ' HD3' HD23 ' A' ' 11' ' ' LEU . 19.0 ttpt -92.62 -58.51 2.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 48' ' ' GLU . . . -105.39 168.81 8.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -50.07 -48.06 53.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.47 HG12 ' HB2' ' A' ' 47' ' ' TYR . 41.7 t -125.02 117.5 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -99.21 135.59 40.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 36' ' ' ILE . 1.3 tm? -135.52 115.25 12.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 91.8 m-85 -109.1 125.73 52.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.541 ' HE3' ' HB3' ' A' ' 33' ' ' SER . 4.4 ptm -149.61 175.57 11.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -97.14 117.79 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 27' ' ' GLU . . . 111.82 -23.05 17.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.425 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.7 OUTLIER 63.16 173.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' ASN . 3.8 mtmt -40.64 -29.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' N ' ' C ' ' A' ' 24' ' ' ASN . 23.0 mt-30 -60.32 -75.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HB2' ' CA ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -72.72 147.0 46.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' A' ' 34' ' ' LYS . . . -176.85 105.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' CYS . 2.4 mmpt? -92.63 33.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' LYS . 1.5 m 40.85 84.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 108.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.526 ' C ' ' CG ' ' A' ' 32' ' ' PHE . . . 172.85 92.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CG ' ' C ' ' A' ' 31' ' ' GLY . 3.5 m-85 74.19 -55.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.541 ' HB3' ' HE3' ' A' ' 21' ' ' MET . 0.3 OUTLIER -58.84 -69.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.882 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 5.3 tptm -62.71 -47.41 83.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' GLU . 2.7 mm-40 -42.46 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.936 HD13 HD21 ' A' ' 19' ' ' LEU . 3.5 tt -41.11 -40.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.496 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 1.5 mt -61.34 -49.54 76.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' GLN . 2.2 mt-10 -59.79 -39.81 86.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.909 HG23 ' HE2' ' A' ' 91' ' ' LYS . 21.8 mt -70.31 -49.2 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.613 HD11 HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -52.8 -21.98 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -89.42 -44.98 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -42.87 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.514 HG21 HD23 ' A' ' 100' ' ' LEU . 2.2 p -44.69 -40.03 5.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.48 -3.64 63.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.83 HG12 ' HE3' ' A' ' 101' ' ' LYS . 19.1 m -83.92 -172.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.83 131.04 56.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 6.7 p90 -138.85 168.11 20.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . 6.3 mm-40 -136.01 159.52 41.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 5.7 p -119.91 166.59 13.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.876 ' CE1' HD11 ' A' ' 11' ' ' LEU . 84.1 t80 -144.63 167.47 22.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 1.4 p-10 -100.88 117.63 35.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.721 HD13 ' CE2' ' A' ' 71' ' ' TYR . 1.2 pt -94.7 -31.8 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -57.52 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.76 -66.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.16 73.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.41 -48.61 80.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -44.94 -42.16 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.673 HG13 ' CD1' ' A' ' 8' ' ' LEU . 67.2 t -66.77 -47.78 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -69.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 61' ' ' GLY . 1.2 pp0? -52.36 -50.66 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' OE1' ' A' ' 60' ' ' GLN . . . -59.5 -14.67 28.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.545 HD21 HG22 ' A' ' 12' ' ' THR . 5.1 mt -92.02 -67.79 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' O ' ' CA ' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -44.14 -38.46 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -74.19 -37.07 64.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CD2' HD23 ' A' ' 8' ' ' LEU . 15.7 t80 -43.1 -45.57 5.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.686 ' HB3' HD22 ' A' ' 80' ' ' LEU . 21.3 m -122.36 7.24 9.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' CA ' ' O ' ' A' ' 63' ' ' LYS . 6.5 t30 54.42 37.34 27.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.51 ' C ' ' H ' ' A' ' 70' ' ' THR . 29.3 t-105 -126.63 79.56 71.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.043 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 30.41 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.51 ' H ' ' C ' ' A' ' 68' ' ' TRP . 1.8 m -114.05 93.65 4.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CE2' HD13 ' A' ' 52' ' ' ILE . 14.8 m-85 -81.32 162.24 59.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.96 -175.28 15.68 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.998 -0.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -136.88 126.92 26.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -110.01 130.02 55.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.982 ' N ' HD12 ' A' ' 74' ' ' LEU . 49.1 m-85 -128.57 132.37 48.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.643 HG22 ' H ' ' A' ' 77' ' ' ARG . 9.5 p -136.93 175.67 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.643 ' H ' HG22 ' A' ' 76' ' ' VAL . 4.4 tmt_? -37.69 -46.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.422 ' H ' HG13 ' A' ' 76' ' ' VAL . . . -60.5 -131.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' VAL . 3.8 p-10 -116.74 177.31 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 66' ' ' SER . 12.0 tp -48.23 94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 79' ' ' ASP . 41.2 t -41.16 -73.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.467 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 150.69 178.68 25.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.5 -164.37 1.21 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.7 tm? -62.11 -57.31 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.403 ' N ' HD13 ' A' ' 84' ' ' LEU . 2.7 m-20 -40.94 -41.34 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -68.0 -68.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.655 HG22 HD23 ' A' ' 74' ' ' LEU . 72.9 t -44.31 -53.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HG2' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -52.78 -56.94 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ASP . 18.2 tt0 -45.18 -68.92 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.618 ' HB2' HD13 ' A' ' 96' ' ' LEU . 1.4 mt -44.67 -53.35 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.909 ' HE2' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -53.72 -35.89 61.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 89' ' ' GLU . 17.6 t70 -67.46 -52.82 34.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -61.46 -43.28 99.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.85 29.86 3.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.13 52.83 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 90' ' ' LEU . 7.0 tp -131.81 -48.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.0 tm? -53.42 -46.04 98.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.97 -13.36 21.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.9 mm -89.02 -43.86 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.578 HD13 ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -69.8 -49.23 54.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.83 ' HE3' HG12 ' A' ' 45' ' ' VAL . 1.8 mmpt? -44.31 -27.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 100' ' ' LEU . . . -90.15 36.23 3.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -61.44 158.05 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 110.313 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.401 ' N ' ' HB2' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -46.04 150.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.63 68.63 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.83 36.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.773 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.81 73.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.39 -58.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.95 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -60.72 143.04 55.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -106.25 -55.06 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.009 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.5 99.36 2.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -84.67 118.96 24.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.99 175.08 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.962 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.53 172.6 14.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.777 ' CD1' HG13 ' A' ' 58' ' ' VAL . 1.7 tp -75.36 -61.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -47.33 10.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 33.0 t -60.98 -37.53 77.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.968 HD11 ' CE1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -61.93 -53.91 49.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 12' ' ' THR . 19.9 p -68.65 -11.57 60.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -117.57 17.28 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' VAL . 2.4 ttmt -73.02 -61.36 1.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.471 ' HB2' ' HG3' ' A' ' 48' ' ' GLU . . . -112.38 148.06 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -45.77 -48.92 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.962 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 t -113.62 107.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -95.44 124.74 39.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.887 HD11 HG21 ' A' ' 36' ' ' ILE . 1.8 tm? -118.27 106.01 12.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 18' ' ' MET . 42.1 m-85 -101.07 108.04 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.861 ' CE ' ' HB2' ' A' ' 28' ' ' ALA . 3.1 ptt? -136.4 178.68 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.708 ' HA ' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -104.75 107.81 18.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.78 -29.83 2.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.25 156.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HG3' HG21 ' A' ' 49' ' ' THR . 12.7 mtmt -40.1 -37.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -39.94 -41.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 169.49 165.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.861 ' HB2' ' CE ' ' A' ' 21' ' ' MET . . . -149.75 -74.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 40.33 74.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.49 -46.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.28 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 143.05 152.5 5.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' GLN . 15.4 m-85 58.88 -76.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' GLY . 5.5 m -36.16 -50.3 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.691 ' HD2' ' HB3' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -66.09 -48.26 71.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' PHE . 18.2 mm-40 -46.55 -65.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.887 HG21 HD11 ' A' ' 19' ' ' LEU . 1.3 tt -41.96 -44.11 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD12 ' SD ' ' A' ' 21' ' ' MET . 1.5 mt -65.27 -48.45 73.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.98 -34.48 63.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.664 HG23 ' CE ' ' A' ' 91' ' ' LYS . 44.1 mt -80.47 -50.26 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.646 HD11 HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -50.05 -23.49 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -28.29 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -74.01 -3.04 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.957 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.446 ' C ' ' H ' ' A' ' 45' ' ' VAL . 39.4 p -134.4 84.52 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 45' ' ' VAL . . . -73.14 10.35 5.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 46' ' ' GLU . 2.3 m -55.71 -165.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' N ' HG23 ' A' ' 45' ' ' VAL . 3.6 mt-10 -78.86 109.97 13.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -151.03 178.44 9.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 2.2 mt-10 -162.05 175.84 11.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.532 HG21 ' HG3' ' A' ' 25' ' ' LYS . 2.9 p -136.72 138.87 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.968 ' CE1' HD11 ' A' ' 11' ' ' LEU . 83.6 t80 -121.11 165.58 15.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -109.94 115.44 29.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -87.95 -15.73 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -74.22 -65.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -45.77 -70.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -78.3 87.29 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.26 -35.72 81.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.55 -55.25 36.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 8' ' ' LEU . 78.9 t -54.12 -46.01 66.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -53.95 -70.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -54.32 -35.52 62.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.438 ' C ' HD21 ' A' ' 8' ' ' LEU . . . -73.8 -12.7 80.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' PHE . 5.0 mt -92.55 -62.52 1.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -44.81 -36.4 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.8 m -75.6 -37.35 59.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.693 ' CD2' HD23 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -53.99 -37.29 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' ASN . 3.5 m -122.39 13.68 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.039 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' LYS . 44.0 t30 39.9 39.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.463 ' CE2' ' HB ' ' A' ' 70' ' ' THR . 24.0 t-105 -130.71 77.64 75.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.55 7.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.804 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.463 ' HB ' ' CE2' ' A' ' 68' ' ' TRP . 23.4 m -76.35 89.23 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.514 ' HA ' ' C ' ' A' ' 72' ' ' PRO . 26.1 m-85 -86.99 157.17 54.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.817 ' HG2' HD12 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.07 167.23 81.07 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.982 0.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.728 HE21 HD13 ' A' ' 80' ' ' LEU . 29.1 tt0 -133.56 116.95 16.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.76 HD11 HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -94.13 149.81 20.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.565 ' H ' HD12 ' A' ' 74' ' ' LEU . 9.5 m-85 -132.85 126.8 33.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.76 HG23 HD11 ' A' ' 74' ' ' LEU . 26.5 t -137.43 144.88 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 64.43 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -169.28 -41.63 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -77.95 161.33 27.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.728 HD13 HE21 ' A' ' 73' ' ' GLN . 0.4 OUTLIER -80.67 124.47 29.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.0 t -72.8 -63.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.549 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . 157.55 -169.27 34.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.469 ' H ' HD13 ' A' ' 86' ' ' ILE . . . -96.52 -162.45 32.69 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD2' HD12 ' A' ' 39' ' ' ILE . 1.7 tm? -56.65 -56.03 26.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -36.46 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.605 HG22 ' N ' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -72.93 -70.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.605 ' N ' HG22 ' A' ' 86' ' ' ILE . 73.3 t -40.31 -58.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -53.17 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -48.33 -69.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.57 ' H ' HD22 ' A' ' 90' ' ' LEU . 2.6 mm? -42.17 -57.03 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.664 ' CE ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -50.11 -45.89 53.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -65.09 -64.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -44.05 -43.56 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.95 40.73 1.94 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -141.82 50.4 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.784 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.516 ' HG ' HD22 ' A' ' 100' ' ' LEU . 7.5 tp -117.51 -43.15 2.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.1 tm? -53.48 -45.61 98.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.06 -36.55 2.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.37 -37.37 79.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.516 HD22 ' HG ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -76.84 -60.94 2.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.427 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -38.38 -64.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . 86.09 86.77 1.02 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' GLY . 3.2 tt0 37.39 79.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 m -154.98 150.06 26.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.61 98.97 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.89 3.87 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 t 56.58 85.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 44.89 82.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.976 . . . . . . . . 0 0 . 1 stop_ save_