data_1ivm_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 1ivm _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 3' ' ' TYR . 41.3 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.517 ' CZ ' HG21 ' A' ' 89' ' ' ILE . 14.6 m-85 -140.84 131.66 25.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' ARG . 9.2 pt-20 -118.03 165.98 13.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -36.03 -66.32 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -48.09 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.319 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -33.73 -67.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.68 ' CE2' ' CB ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -41.6 -50.91 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.03 -55.23 35.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -51.0 -57.93 7.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.3 m -51.27 -55.66 17.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.48 HD23 ' CD1' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -46.72 -54.16 10.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -64.93 -26.24 68.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.0 tpt85 -78.89 -23.37 44.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.4 t-20 -89.42 -40.43 12.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.83 41.34 1.45 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.75 -38.49 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -52.04 109.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 102.15 21.71 10.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' TYR . 4.4 t80 -43.31 168.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -34.95 -48.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.61 -56.71 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 28' ' ' TRP . 5.5 t -53.34 116.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -90.41 145.06 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.043 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 12.1 tp -43.19 -47.93 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.69 85.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 48.2 m-20 -64.21 -37.45 87.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.569 ' CD1' HG13 ' A' ' 23' ' ' VAL . 24.6 m95 -63.69 -57.15 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 107.983 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.03 -62.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.98 -47.13 21.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.57 HD11 ' CE3' ' A' ' 109' ' ' TRP . 5.4 tt -59.83 -67.52 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.098 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.68 ' CB ' ' CE2' ' A' ' 8' ' ' PHE . . . -43.73 -29.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -72.18 -52.91 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 111' ' ' ALA . 5.1 t-80 -61.12 -22.23 64.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.536 ' OE1' ' CD1' ' A' ' 109' ' ' TRP . 15.0 mm-40 -74.68 -65.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 158.29 62.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.553 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 8.1 t-20 -58.7 -150.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 25.0 m-85 72.66 -125.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.063 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -84.74 142.32 29.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 p -70.03 58.55 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -113.79 4.65 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.412 ' HB2' ' C ' ' A' ' 55' ' ' GLY . . . -57.16 91.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.575 HG22 ' CE2' ' A' ' 54' ' ' TYR . 1.9 p -142.38 122.28 13.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.39 99.56 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.469 ' HA ' ' CG2' ' A' ' 52' ' ' THR . 1.1 p90 -89.36 159.5 17.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 51' ' ' SER . 29.1 m120 -162.77 104.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' GLY . 5.2 ttt85 -75.58 -32.9 60.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -37.59 -41.33 0.82 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -122.93 30.93 6.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ASP . 1.9 tt0 35.14 47.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 79.8 p -138.51 149.54 45.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.683 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 7.6 m -141.57 131.83 24.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -101.02 98.91 9.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.683 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 4.5 m-85 -127.02 157.65 39.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' GLN . . . 101.8 143.61 13.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.408 ' CG1' ' HA ' ' A' ' 37' ' ' ASN . 13.8 tt -50.61 -32.82 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.442 ' CZ ' ' CZ ' ' A' ' 8' ' ' PHE . 14.6 m-85 -89.94 22.46 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 37.51 69.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.8 mt -96.14 134.53 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.242 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -80.31 132.72 35.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -89.84 10.85 22.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.506 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -88.08 -2.29 58.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -151.98 -44.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.577 ' CD1' HG22 ' A' ' 99' ' ' VAL . 5.2 m-90 -96.29 156.33 16.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 64' ' ' TRP . 1.4 p 52.42 176.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.54 -169.3 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -150.37 -51.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.14 -0.77 22.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -14.73 26.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -125.8 94.99 40.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 58.98 5.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.96 -45.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.83 159.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 75' ' ' ASN . 6.3 p -122.08 54.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' VAL . 17.9 p-10 -39.32 100.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -79.99 -18.05 51.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 1.8 t -89.49 -32.79 17.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.438 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.51 53.66 30.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.438 ' CG2' ' C ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -150.92 163.23 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -75.23 124.03 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 52.3 m -50.21 -32.66 17.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.6 t -58.17 -32.38 68.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.17 -18.25 24.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mt -99.98 11.2 39.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.427 ' CD1' ' CG2' ' A' ' 43' ' ' THR . 0.0 OUTLIER -124.59 20.68 8.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -90.74 -162.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.36 -51.13 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -76.98 132.49 39.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.517 HG21 ' CZ ' ' A' ' 3' ' ' TYR . 9.1 pt -85.1 2.73 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.66 -37.44 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.18 63.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.486 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -62.29 -40.09 95.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.28 -50.88 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.466 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -56.46 -47.3 79.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.8 t -68.61 -45.22 72.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -49.09 -48.81 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -70.59 -42.49 70.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.505 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 7.7 tpt180 -61.64 -22.35 65.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 64' ' ' TRP . 51.7 t -88.25 -57.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.7 t -56.89 -26.97 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -53.4 -19.22 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.473 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -79.29 176.69 3.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.4 Cg_endo -74.96 1.53 7.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.534 1.807 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -69.79 -63.86 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.25 163.33 28.15 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 31' ' ' LEU . 3.9 mm -39.68 -31.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 0.735 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 105' ' ' GLY . 9.7 tpt180 -38.46 -38.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.0 -36.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.57 ' CE3' HD11 ' A' ' 31' ' ' LEU . 24.4 m-90 -94.16 60.26 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 107.964 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 113' ' ' ARG . 15.0 p -42.64 -27.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.567 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -48.09 -49.72 30.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.493 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.12 -30.36 64.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 107.968 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.491 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -69.43 -15.26 63.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.79 31.13 5.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.143 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.73 -44.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -88.72 -55.68 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 55.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -141.57 -57.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.64 -170.19 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -85.7 101.55 12.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.478 HD13 ' CB ' ' A' ' 124' ' ' TYR . 1.2 tm? -90.1 9.71 27.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 m -75.74 -25.41 56.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.963 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.4 -15.85 63.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.478 ' CB ' HD13 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -79.92 -38.06 33.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.3 pt -90.34 -32.72 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 2.0 ttm180 -70.02 99.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.4 m-20 161.27 -26.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -24.57 60.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 105.59 31.39 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 38' ' ' TYR . 60.4 t . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 89' ' ' ILE . 2.4 m-85 -156.07 117.53 3.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -106.97 171.63 7.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -43.77 -55.05 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 7' ' ' GLU . 1.1 m -55.38 -76.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 108.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 6' ' ' CYS . 6.6 mm-40 -36.09 -65.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.486 ' CZ ' ' HB1' ' A' ' 32' ' ' ALA . 45.7 t80 -45.66 -48.85 14.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.27 59.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -53.35 -56.03 20.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' ASN . 7.3 m -52.4 -55.03 24.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -49.02 -50.48 35.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -65.11 -28.96 69.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -78.57 -24.32 45.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -89.52 -40.05 12.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.82 46.52 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.35 -39.37 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.14 110.54 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.05 28.02 35.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' TYR . 53.8 t80 -48.6 177.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' TYR . 1.4 m-85 -35.37 -54.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.37 -61.42 0.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.611 1.195 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.597 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 11.6 t -47.73 119.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -88.76 146.1 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 tp -42.8 -49.39 5.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.52 85.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' SER . 19.0 m-20 -63.51 -36.49 83.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.597 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 24.5 m95 -65.69 -57.46 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.011 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 125' ' ' ILE . 41.3 t -55.55 -58.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.494 ' CB ' HD11 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -48.53 -47.13 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 108.347 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 57' ' ' PHE . 1.6 tm? -58.2 -56.35 23.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' A' ' 8' ' ' PHE . . . -58.74 -23.0 59.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tt0 -75.29 -53.95 7.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 111' ' ' ALA . 13.1 t-80 -57.96 -27.0 63.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.655 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.1 mm-40 -74.34 -61.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 159.39 60.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.622 ' OD1' ' CD2' ' A' ' 38' ' ' TYR . 38.0 p-10 -57.64 -158.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 23.6 m-85 67.19 -58.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' ASN . 16.0 t-20 -121.58 155.54 34.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.411 ' O ' ' OG1' ' A' ' 40' ' ' THR . 1.7 t -133.91 40.56 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -105.77 4.11 29.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.34 114.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -145.39 128.58 16.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.2 m-20 -147.41 97.14 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.424 ' OH ' ' CD1' ' A' ' 85' ' ' LEU . 23.0 m-85 -89.53 151.39 21.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' SER . 20.5 m120 -162.13 104.63 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.22 -32.55 29.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.45 -43.89 1.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' GLN . 25.0 t0 -121.18 31.06 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' ASP . 9.1 tp-100 34.09 56.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' ASN . 28.3 p -143.48 151.38 40.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 60' ' ' ASN . 1.5 m -145.97 156.24 43.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 0.0 110.456 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ASN . 71.6 m-20 -140.07 117.69 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 2.0 p90 -150.91 168.3 24.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.25 146.7 18.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.7 tt -52.49 -30.61 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 31' ' ' LEU . 5.3 m-85 -92.03 17.88 8.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER 37.83 74.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -100.38 140.4 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.458 ' ND2' ' CE3' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -90.01 137.0 32.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.411 ' CB ' ' SG ' ' A' ' 65' ' ' CYS . 1.1 t -92.28 11.46 25.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -33.18 19.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -115.26 -22.11 9.58 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.458 ' CE3' ' ND2' ' A' ' 60' ' ' ASN . 3.1 m-90 -114.05 167.88 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 107.975 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.462 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER 59.33 159.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 108.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -127.79 -178.42 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -157.04 -47.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.67 -0.77 89.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -97.63 -13.53 21.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 t -131.0 107.53 15.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 61.82 5.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.33 -53.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.312 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.03 156.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.4 p -129.61 60.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' ASN . 23.6 p-10 -39.93 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -90.4 -14.03 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 7.8 t -89.56 -32.38 17.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.45 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 71.93 55.05 7.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -150.99 155.86 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.412 0.713 . . . . 0.0 109.267 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -72.3 127.18 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 70.3 m -48.16 -37.87 16.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.3 p -56.48 -34.24 66.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 80' ' ' ASN . . . -58.43 -24.28 59.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 1.1 mt -96.06 9.4 40.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.424 ' CD1' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -121.72 23.27 10.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.55 -165.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.36 -73.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.21 145.28 14.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 3' ' ' TYR . 5.8 pt -84.07 5.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -43.37 -36.47 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.77 62.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -62.52 -38.01 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 10.1 mt -74.38 -52.04 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 22.1 tt0 -55.54 -44.64 76.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' VAL . 4.0 t -70.37 -47.43 60.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -48.35 -45.44 35.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 20.1 pttt -73.28 -42.98 61.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.54 -22.57 66.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.245 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' CYS . 44.9 t -88.22 -57.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.36 -24.9 25.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -57.89 -16.7 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.501 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -81.46 177.75 2.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.1 Cg_endo -75.04 1.78 7.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -69.78 -62.27 1.45 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.65 160.0 22.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.57 1.169 . . . . 0.0 110.97 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.562 HD11 ' CZ3' ' A' ' 109' ' ' TRP . 2.8 mm -43.74 -27.12 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.434 ' N ' ' C ' ' A' ' 105' ' ' GLY . 17.1 ttm180 -38.31 -39.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.22 -37.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.387 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.562 ' CZ3' HD11 ' A' ' 106' ' ' ILE . 24.2 m-90 -94.34 62.34 2.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 107.959 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' ARG . 13.9 p -43.25 -27.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.566 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -47.63 -47.78 28.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -61.42 -33.32 73.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.493 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 3.1 tmm_? -64.45 -15.71 61.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -126.62 32.02 5.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.99 -45.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.615 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -88.95 -55.18 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.069 . . . . 0.0 108.292 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.402 ' OE1' ' CA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -72.65 56.14 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -147.75 -65.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -119.38 -171.27 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -91.49 97.93 11.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.494 HD11 ' CB ' ' A' ' 30' ' ' CYS . 1.4 tm? -92.22 13.02 20.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 -26.28 59.81 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -62.76 -15.35 53.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.412 ' CB ' HD13 ' A' ' 121' ' ' LEU . 1.0 OUTLIER -79.63 -37.86 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.464 ' CG2' HG22 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -90.95 -33.14 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 0.0 109.238 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.42 ' N ' HG13 ' A' ' 125' ' ' ILE . 13.0 tpt180 -77.7 104.37 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 162.55 -27.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -23.95 59.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 108.365 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 106.55 32.96 3.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -138.93 115.96 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -100.97 168.4 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.265 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -41.58 -54.85 3.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -53.21 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -36.75 -65.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.692 ' CE2' ' CB ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -45.19 -47.99 12.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.64 55.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.591 1.182 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -50.67 -56.55 11.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 15' ' ' ASN . 8.4 m -52.65 -56.61 14.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.0 -53.8 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -64.87 -27.49 68.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -76.33 -26.47 55.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.2 t30 -89.86 -42.24 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.94 55.65 0.47 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mmm -131.06 -40.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 0.724 . . . . 0.0 111.039 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.55 113.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.95 29.03 24.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.436 1.085 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' TYR . 9.3 t80 -48.43 178.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.398 0.705 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -35.63 -48.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.2 -61.36 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.651 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 12.2 t -43.99 120.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.534 0.785 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.54 150.7 21.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.431 HD13 ' CG2' ' A' ' 29' ' ' VAL . 10.0 tp -49.19 -43.74 42.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.84 87.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.592 ' OD1' ' CH2' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -67.8 -33.75 75.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.181 . . . . 0.0 109.327 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.651 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 16.9 m95 -67.99 -59.47 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 5' ' ' ARG . 43.2 t -55.21 -57.26 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.8 t -51.74 -45.74 63.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.423 1.077 . . . . 0.0 108.226 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.652 ' CD1' ' CG ' ' A' ' 109' ' ' TRP . 14.8 tp -52.05 -62.05 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.692 ' CB ' ' CE2' ' A' ' 8' ' ' PHE . . . -55.93 -29.18 59.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.15 -53.54 19.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.481 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 2.5 t-160 -64.59 -28.59 69.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.574 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' SER . 10.8 mm-40 -71.39 -59.45 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.639 1.212 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER 160.29 51.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.607 ' O ' ' N ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -61.07 -151.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.168 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER 61.24 -63.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 111.011 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.607 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.6 m120 -104.02 140.86 37.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 p -103.62 34.35 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -117.63 11.96 13.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.247 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.91 104.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.053 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.538 HG21 ' CE2' ' A' ' 54' ' ' TYR . 6.7 p -148.96 122.77 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.3 m-20 -150.18 98.35 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -88.75 159.76 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -163.56 106.07 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -74.99 -31.08 61.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.601 1.188 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -36.53 -37.88 0.24 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' GLN . 4.4 t0 -129.25 33.28 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 34.76 51.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.562 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 79.2 p -140.71 153.44 45.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.647 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 3.0 m -145.21 133.5 21.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 0.0 110.48 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' ASN . 23.5 m-20 -102.67 102.34 12.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.647 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 4.0 m-85 -127.5 158.83 36.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.88 146.8 21.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.2 tt -52.39 -32.15 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.444 ' CE1' ' HB1' ' A' ' 32' ' ' ALA . 18.4 m-85 -90.12 22.45 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 36.96 66.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.2 mt -89.38 133.69 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.43 124.94 28.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 9.4 t -82.48 7.12 15.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.4 OUTLIER -88.18 11.96 15.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.085 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.485 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.03 -37.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 111.038 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CD1' HG23 ' A' ' 99' ' ' VAL . 69.7 m95 -116.22 167.22 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.485 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER 59.1 154.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 108.307 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.482 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 8.2 p30 -106.43 -172.75 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 66' ' ' ASN . 11.1 t0 -162.32 -45.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.19 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.6 2.12 59.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.103 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 0.1 31.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -143.96 106.06 4.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 55.73 4.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' ALA . 2.0 ttt-85 -150.81 -44.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -49.87 179.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -149.63 95.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.482 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 30.2 p-10 -67.95 62.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.418 1.073 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . . . -60.13 -16.08 29.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 2.8 t -89.24 -32.71 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.453 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.44 51.32 37.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.608 1.193 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -151.29 118.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 0.793 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.433 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . 9.1 m-20 -50.7 124.33 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.409 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -48.14 -27.33 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 80' ' ' ASN . 0.1 OUTLIER -57.85 -31.34 66.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.981 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.24 67.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -100.83 13.54 34.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.222 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.58 6.93 14.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 87' ' ' ASP . 23.8 pt20 -106.14 -157.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -90.73 -58.55 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.51 110.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ALA . 16.4 pt -82.67 3.2 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 t -45.13 -35.51 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.404 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.37 -38.23 65.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -64.51 -41.16 96.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.2 mt -71.34 -48.45 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.203 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -57.09 -49.56 75.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -68.6 -41.95 78.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -50.54 -50.46 53.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 17.2 pttt -71.22 -40.37 71.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.527 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.8 ttt85 -64.27 -20.87 66.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.571 HG23 ' CD1' ' A' ' 64' ' ' TRP . 39.7 t -89.8 -57.61 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -30.78 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -25.58 6.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 110.254 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.496 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -73.99 177.76 1.95 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.96 1.13 8.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -67.96 -62.07 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 78.34 162.57 20.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.41 ' CG1' HG22 ' A' ' 23' ' ' VAL . 2.9 mm -44.21 -27.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.582 0.813 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -42.92 -36.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.196 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.81 -33.11 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.284 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.652 ' CG ' ' CD1' ' A' ' 31' ' ' LEU . 12.9 m-90 -97.65 43.9 1.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 113' ' ' ARG . 11.3 p -40.87 -27.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 109.256 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.481 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -45.21 -51.33 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.392 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.649 ' CE3' ' CB ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.13 -34.47 72.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 108.018 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 110' ' ' VAL . 6.9 ttt-85 -75.88 -11.46 59.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.7 30.32 5.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 1.6 t60 -151.87 -48.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.649 ' CB ' ' CE3' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -89.72 -57.67 2.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 108.268 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 116' ' ' CYS . 1.7 tm0? -37.67 -30.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 116' ' ' CYS . 2.0 t-20 -47.88 -55.8 9.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.06 -168.86 1.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -91.5 102.34 15.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.507 ' CD2' ' SG ' ' A' ' 116' ' ' CYS . 0.5 OUTLIER -96.61 18.73 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -20.76 62.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.49 -9.82 58.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 5' ' ' ARG . 1.1 t80 -74.59 -24.36 58.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.451 HG21 ' CG2' ' A' ' 29' ' ' VAL . 2.3 pt -106.51 -29.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -75.42 -0.15 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 124' ' ' TYR . 29.0 p30 -84.98 -22.15 29.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 127' ' ' ASN . 0.4 OUTLIER -74.57 -25.65 59.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 108.331 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 102.6 30.09 5.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.358 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.517 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 72.1 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.578 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 8.4 m-85 -156.81 121.08 4.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ARG . 12.6 pt-20 -102.41 165.83 10.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -38.62 -68.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -44.38 -72.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.318 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -35.14 -66.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.608 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -46.63 -49.98 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.82 -52.84 46.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.4 1.063 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -58.18 -51.19 70.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ASN . 13.2 m -57.05 -54.67 44.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.08 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.77 -50.19 56.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.73 -28.83 69.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -79.49 -22.15 44.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.19 -38.9 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.85 44.28 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.439 ' HE1' ' CZ3' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -125.5 -38.61 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.949 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.93 112.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.54 33.17 28.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' TYR . 25.7 t80 -49.43 179.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -36.18 -52.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.943 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.42 -59.36 0.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.61 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 11.1 t -48.64 122.39 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 109.21 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -90.42 141.28 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 tp -43.02 -48.61 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.58 79.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 21.9 m-20 -66.16 -36.69 83.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 16.1 m95 -63.54 -55.37 24.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 107.964 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' GLN . 13.3 t -58.7 -63.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.399 1.062 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.483 ' CB ' HD23 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -45.19 -43.19 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 108.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 27.0 tp -58.28 -55.5 34.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.23 -19.81 65.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tm0? -74.19 -56.29 5.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.571 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.0 OUTLIER -60.76 -24.74 65.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.607 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' SER . 19.1 mm-40 -75.57 -63.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER 158.51 64.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.608 ' OD1' ' CD2' ' A' ' 8' ' ' PHE . 9.1 t30 -64.2 -155.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 5.7 m-85 62.4 -61.68 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ASN . 12.7 m-20 -129.06 150.42 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -103.36 49.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' O ' ' OG1' ' A' ' 43' ' ' THR . 4.4 ttt-85 -88.73 -18.72 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.15 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 41' ' ' ARG . 7.3 p -143.38 135.6 26.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.344 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -150.63 94.27 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -89.96 157.85 17.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' SER . 75.7 m-20 -160.87 103.67 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.7 tpp180 -76.69 -30.97 56.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.98 -36.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -137.1 35.51 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.3 tp60 36.44 50.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.484 ' HB3' ' CD ' ' A' ' 62' ' ' ARG . 90.7 p -132.98 147.52 52.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.578 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.9 m -140.97 164.68 29.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.433 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASN . 5.4 t0 -149.79 108.62 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.656 ' CE2' ' OG ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -150.02 169.6 20.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.27 164.17 16.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mm -41.43 -60.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.536 0.786 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -89.14 23.23 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 40.65 77.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 9.8 mt -89.22 147.22 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.9 OUTLIER -80.42 135.12 36.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.656 ' OG ' ' CE2' ' A' ' 54' ' ' TYR . 0.7 OUTLIER -92.51 1.75 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.484 ' CD ' ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.04 -39.94 14.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.343 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.412 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -102.6 -46.55 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.412 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 28.6 m-90 -97.71 158.05 15.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.071 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.489 ' CB ' HD11 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.7 147.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.464 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . 11.9 t30 -89.99 -94.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 5.1 t70 176.24 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.12 -1.93 86.69 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.612 1.195 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.5 -46.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -107.19 103.32 47.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 60.05 5.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -121.15 -58.02 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -39.93 138.83 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.4 p -90.1 56.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.464 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 26.5 p-10 -38.96 96.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -85.0 -16.84 39.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.0 t -90.13 -32.52 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.424 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 74.01 61.03 3.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.584 1.178 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.489 HD11 ' CB ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -150.03 158.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.361 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 1.8 m-20 -70.77 123.79 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 7.8 m -49.35 -48.31 46.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.245 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 t -54.42 -25.11 22.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 80' ' ' ASN . . . -63.97 -12.24 35.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 15.0 mt -98.12 10.57 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.0 25.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -97.41 -164.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -88.2 -71.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.98 129.0 39.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ALA . 4.8 pt -82.95 3.67 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.9 t -42.98 -37.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.2 64.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -62.37 -35.87 80.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.423 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 12.2 mt -74.02 -53.74 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.366 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 5.2 tp60 -54.05 -43.32 70.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 99' ' ' VAL . 7.3 t -69.26 -53.66 18.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.73 -47.41 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -70.84 -43.04 69.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.506 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.32 -17.97 63.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 110.365 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 42.4 t -91.4 -55.93 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -31.6 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -53.28 -25.01 13.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.489 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -74.28 177.98 1.89 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.1 Cg_endo -75.0 2.28 6.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -68.94 -62.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.82 163.66 14.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.135 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.5 mm -47.67 -30.06 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -31.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.06 -32.11 14.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.416 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 9.5 m-90 -102.81 66.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 113' ' ' ARG . 11.9 p -45.94 -25.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.571 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -47.74 -46.27 29.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.527 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -60.45 -33.58 72.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 107.997 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.48 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 47.9 ttt-85 -64.87 -14.75 60.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.18 32.96 4.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.89 -45.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.527 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.53 -54.03 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.241 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.57 -13.61 15.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.403 1.064 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -62.15 -66.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.77 -169.94 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -88.0 103.59 15.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.483 HD23 ' CB ' ' A' ' 30' ' ' CYS . 14.7 tp -101.43 21.75 13.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.1 t -73.92 -21.77 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.938 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.74 -9.4 58.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -33.19 62.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.7 pt -94.03 -36.05 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 15.6 tpt180 -75.94 103.65 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 161.69 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -24.79 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.341 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.13 31.33 3.11 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 42.9 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.612 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -158.22 143.62 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.92 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' ARG . 9.8 pt-20 -101.31 177.84 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -38.14 -50.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -56.15 -77.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.407 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.3 mt-10 -35.98 -65.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.604 ' CE2' ' CB ' ' A' ' 32' ' ' ALA . 9.5 t80 -42.91 -51.09 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 111.034 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.42 -54.26 48.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.96 -56.24 9.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.422 1.076 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.1 m -54.91 -54.95 36.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.473 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.72 -51.27 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -68.57 -28.31 66.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' THR . 18.1 ttp180 -74.21 -26.38 60.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.3 t-20 -90.43 -40.9 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.09 50.0 0.75 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.146 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 -40.13 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB1' ' CD1' ' A' ' 25' ' ' LEU . . . -47.3 112.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 89.78 28.23 19.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 21' ' ' TYR . 30.2 t80 -47.53 178.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.68 -56.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.89 -63.83 0.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.671 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 11.6 t -43.64 120.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.497 0.763 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -89.63 146.83 24.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.971 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' CD1' ' HB1' ' A' ' 18' ' ' ALA . 20.8 tp -43.97 -46.21 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.34 94.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 49.0 m-20 -64.48 -37.15 86.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.671 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 11.9 m95 -65.76 -56.99 9.08 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.468 ' CG2' HG22 ' A' ' 125' ' ' ILE . 56.1 t -55.38 -59.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.472 ' CB ' HD21 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -50.53 -43.16 55.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.254 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 57' ' ' PHE . 35.9 tp -62.27 -58.72 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.604 ' CB ' ' CE2' ' A' ' 8' ' ' PHE . . . -56.94 -25.07 56.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' VAL . 43.5 tp60 -72.69 -55.44 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -60.84 -24.17 65.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.603 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.512 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 7.3 mm-40 -74.63 -59.38 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 t -176.76 -62.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.933 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' A' ' 39' ' ' ASN . 2.1 t-20 55.94 -169.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 3' ' ' TYR . 2.5 m-85 60.3 -74.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -122.41 138.56 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.513 ' CG2' ' OH ' ' A' ' 3' ' ' TYR . 42.7 p -81.65 59.61 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 43' ' ' THR . 2.0 ttp85 -102.45 -15.22 16.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.86 92.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.454 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 7.5 p -138.26 134.38 34.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -149.97 92.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.405 ' HA ' ' CG2' ' A' ' 52' ' ' THR . 28.0 p90 -88.75 155.17 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -161.66 103.76 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' GLY . 8.5 ttp-105 -75.37 -30.36 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -32.98 -41.92 0.13 Allowed Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.468 1.105 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -133.15 34.52 3.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 0.722 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.466 ' HG3' ' CB ' ' A' ' 70' ' ' THR . 12.8 tm0? 36.14 61.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 22.6 p -144.86 129.14 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 60' ' ' ASN . 87.8 m -125.21 126.7 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -108.74 103.6 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.679 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 p90 -152.67 162.91 40.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.64 156.02 9.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.549 HD11 ' CE1' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -47.42 -35.17 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 31' ' ' LEU . 10.8 m-85 -106.56 22.38 15.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 38.52 85.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 66.7 mt -104.6 145.04 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HA ' ' O ' ' A' ' 52' ' ' THR . 2.7 m-80 -91.2 139.25 30.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' THR . 14.2 t -91.35 9.63 30.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.497 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.5 OUTLIER -89.58 -26.86 20.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -116.91 -53.17 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CD1' HG23 ' A' ' 99' ' ' VAL . 69.0 m95 -99.56 160.5 14.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 107.965 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.36 153.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.163 . . . . 0.0 108.294 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.84 169.8 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -128.18 -46.15 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.07 -0.3 69.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -90.92 -16.35 28.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.466 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 1.2 m -139.89 106.74 6.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 57.38 4.57 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.409 1.742 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.4 -51.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.59 159.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 76' ' ' ALA . 11.0 p -123.39 66.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 5.0 p-10 -51.83 93.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.542 ' HB1' ' CZ3' ' A' ' 64' ' ' TRP . . . -79.01 -8.68 59.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.2 t -90.68 -38.39 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.53 54.41 26.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -144.28 158.21 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.79 . . . . 0.0 109.275 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 3.7 t30 -62.65 120.86 12.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.434 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 1.2 m -49.85 -46.42 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.307 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.52 -24.57 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 80' ' ' ASN . . . -62.64 -13.47 32.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.121 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.679 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 43.4 mt -104.01 16.67 25.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.86 15.09 2.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -102.23 -168.96 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.83 -70.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -43.68 126.83 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.559 HG22 ' CE2' ' A' ' 3' ' ' TYR . 24.0 pt -91.16 2.55 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -43.49 -44.48 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . -72.3 -37.72 68.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -59.28 -43.91 92.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 22.7 mt -72.22 -49.7 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.26 -49.62 73.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -67.87 -42.75 80.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 108.284 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -49.73 -49.8 46.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 8.0 ptmt -71.22 -40.81 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -64.32 -21.46 66.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.567 HG23 ' CD1' ' A' ' 64' ' ' TRP . 49.7 t -88.7 -58.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.6 t -57.37 -28.71 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -19.01 3.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -79.88 176.85 3.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -74.96 3.02 5.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -70.51 -62.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.232 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 78.11 161.43 17.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.505 HG22 ' CE3' ' A' ' 112' ' ' TRP . 7.9 mm -40.34 -29.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.451 0.736 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.454 ' N ' ' C ' ' A' ' 105' ' ' GLY . 23.7 ttm-85 -41.53 -36.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.49 -35.02 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.512 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 22.4 m-90 -100.98 63.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' ARG . 7.7 p -39.53 -31.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 109' ' ' TRP . . . -44.7 -51.26 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.553 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.12 -37.59 77.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.471 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -64.93 -14.83 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.12 29.88 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.65 -47.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.25 -53.25 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 108.236 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.16 56.56 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -146.74 -65.92 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -123.51 -171.99 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.87 100.19 12.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 30' ' ' CYS . 1.5 tt -96.1 15.23 21.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.4 m -74.14 -21.97 59.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -69.38 -11.43 60.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.422 ' CB ' HD23 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -79.05 -37.96 37.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.468 HG22 ' CG2' ' A' ' 29' ' ' VAL . 1.3 pt -88.93 -31.58 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.377 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 127' ' ' ASN . 10.2 tpt180 -76.54 95.52 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 42.7 t30 171.62 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -24.08 60.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 111.55 34.16 2.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.325 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.588 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 97.4 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 63.7 m-85 -162.81 140.37 8.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 5' ' ' ARG . 6.6 pt-20 -107.28 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -36.48 -63.65 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.2 m -49.58 -80.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -34.34 -64.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 4' ' ' GLU . 12.0 t80 -43.64 -47.96 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . -59.06 -55.87 29.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -48.38 -58.83 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASN . 9.7 m -52.14 -53.3 44.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp -46.93 -53.39 12.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -64.58 -29.98 71.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.405 ' NH1' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -74.82 -25.07 58.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.7 t30 -89.57 -41.27 12.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.59 36.47 1.42 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.473 ' HG3' ' CG2' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -116.53 -32.02 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -60.45 108.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.86 30.09 13.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.071 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.6 t80 -48.61 177.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -35.58 -56.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 111.033 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.18 -63.38 0.38 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.652 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 12.2 t -47.83 120.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.88 149.99 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.942 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 2.8 tp -49.4 -43.78 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.86 94.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.423 ' HA ' ' SG ' ' A' ' 116' ' ' CYS . 65.9 m-20 -65.07 -39.05 92.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.652 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 24.2 m95 -62.54 -59.35 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' GLN . 46.7 t -51.71 -62.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 121' ' ' LEU . 0.5 OUTLIER -44.98 -48.1 11.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 108.292 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 HD11 ' CG ' ' A' ' 109' ' ' TRP . 25.9 tp -55.82 -52.79 62.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.61 -20.36 66.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -73.83 -55.85 5.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -70.89 -22.83 62.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.64 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -75.47 -62.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 110.231 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -162.86 -68.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 65.0 t30 74.98 171.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 65.1 m-85 59.0 -111.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -87.44 134.17 33.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.426 HG23 ' CD1' ' A' ' 56' ' ' ILE . 29.1 p -84.61 50.7 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.9 ttt-85 -78.68 -16.8 56.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.72 103.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 54' ' ' TYR . 2.9 p -144.0 140.12 29.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -151.18 95.54 2.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.609 1.193 . . . . 0.0 109.373 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -90.69 149.91 21.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -160.3 103.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -80.54 -29.88 37.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.77 -34.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLN . 5.5 t70 -136.6 32.08 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' ASP . 5.2 tp-100 34.24 60.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 72.3 m -149.93 114.43 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.63 ' CG2' ' CE2' ' A' ' 54' ' ' TYR . 2.5 m -110.9 165.84 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.0 OUTLIER -150.27 112.89 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.63 ' CE2' ' CG2' ' A' ' 52' ' ' THR . 0.1 OUTLIER -150.94 171.13 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.76 157.96 11.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.426 ' CD1' HG23 ' A' ' 40' ' ' THR . 5.1 tt -54.6 -40.91 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.611 0.83 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -92.22 11.68 24.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 49.73 79.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 76.8 mt -99.5 145.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.15 138.93 30.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 8.8 t -92.85 4.62 53.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.51 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 2.2 ptt180 -88.76 -15.79 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -126.9 -52.89 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.431 ' O ' ' O ' ' A' ' 65' ' ' CYS . 81.7 m95 -97.11 154.94 17.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.431 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 60.01 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.32 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.494 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . 12.6 t30 -96.2 -96.5 0.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 1.6 t70 173.54 -47.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.448 ' H ' ' ND2' ' A' ' 66' ' ' ASN . . . 89.29 -1.02 81.92 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.47 1.106 . . . . 0.0 111.104 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.82 -43.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 0.722 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -108.4 101.61 43.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 71.04 5.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.485 1.782 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 73' ' ' ALA . 1.4 mmt180 -141.51 -55.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -38.41 137.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 0.0 109.223 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' ALA . 15.0 p -88.71 59.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.494 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 28.9 p-10 -44.32 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.53 -12.83 58.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.5 t -90.68 -25.74 19.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 108.302 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.09 53.41 30.11 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.417 ' CG2' ' C ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -149.11 166.34 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.254 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -83.27 123.78 29.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.429 ' SG ' ' OH ' ' A' ' 54' ' ' TYR . 83.7 m -47.72 -31.48 4.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -29.65 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.79 -10.7 39.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mt -103.09 8.53 38.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tp -137.53 11.6 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -93.13 -171.41 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -69.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.92 133.14 43.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ALA . 9.4 pt -93.52 1.02 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -43.64 -36.31 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.52 -40.98 63.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -60.83 -40.04 91.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 11.4 mt -72.48 -50.84 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -56.53 -48.82 76.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -67.58 -42.77 81.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 108.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -50.68 -49.37 57.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -69.44 -43.76 72.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.6 OUTLIER -61.69 -23.43 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.507 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 75.8 t -85.26 -57.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.62 -22.3 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 -64.82 -16.19 62.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.513 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -77.48 178.44 2.11 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.04 1.81 7.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -69.31 -61.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.55 157.46 15.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.462 ' CD1' HD23 ' A' ' 31' ' ' LEU . 6.5 mm -42.24 -28.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -41.96 -35.5 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.81 -35.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.615 1.197 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.466 ' CG ' HD11 ' A' ' 31' ' ' LEU . 17.2 m-90 -102.41 64.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 108.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' ARG . 95.9 t -44.38 -27.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -47.08 -47.62 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.522 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -58.91 -35.68 73.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 107.987 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 110' ' ' VAL . 26.2 ttt180 -65.0 -15.42 62.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.02 30.94 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.55 -44.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.575 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.47 -53.96 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.227 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -14.58 23.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.1 -71.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -134.98 -166.97 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.65 104.04 5.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 1.5 tm? -98.35 15.69 23.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.4 t -82.17 -16.21 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -72.01 -16.62 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -78.85 -30.15 44.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 pt -98.48 -27.23 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 109.249 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 2.9 ttt180 -78.53 123.18 26.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 19.3 t30 74.85 24.98 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -82.06 -33.18 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.62 36.37 1.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 45.5 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.574 ' CE2' HG21 ' A' ' 89' ' ' ILE . 69.9 m-85 -140.73 118.37 11.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 5' ' ' ARG . 1.3 pt-20 -97.78 166.59 11.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' GLU . 1.1 ptt-85 -34.6 -56.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLU . 75.9 m -54.01 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.33 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 6' ' ' CYS . 4.1 mt-10 -34.47 -64.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -40.78 -53.31 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 25' ' ' LEU . . . -56.86 -55.86 29.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -47.69 -59.46 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ASN . 17.5 m -50.47 -55.72 14.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.474 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -45.81 -53.63 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -65.72 -26.52 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' THR . 36.4 ttt85 -76.62 -27.08 55.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.0 t30 -89.72 -42.8 11.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.39 59.66 0.49 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.578 ' SD ' ' CZ2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -129.75 -41.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 0.719 . . . . 0.0 111.018 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -57.9 123.07 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 94.63 20.4 29.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.6 t80 -49.22 -178.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 110.988 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.94 -42.26 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.424 1.077 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.3 -64.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.08 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.473 ' CG1' HG13 ' A' ' 106' ' ' ILE . 11.6 m -45.02 114.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.3 165.72 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 29.7 tp -47.62 -44.16 26.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.58 91.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 32.3 t0 -64.01 -39.82 94.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ2' ' SD ' ' A' ' 17' ' ' MET . 71.8 m95 -65.92 -60.96 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.037 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.4 ' CG2' HG23 ' A' ' 125' ' ' ILE . 75.7 t -48.48 -57.69 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.472 ' HB3' ' CD1' ' A' ' 121' ' ' LEU . 1.5 p -53.88 -47.3 71.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.524 HD13 ' CE3' ' A' ' 109' ' ' TRP . 3.8 tp -53.61 -56.51 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . . . -61.72 -25.22 67.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -68.12 -52.4 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.172 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 111' ' ' ALA . 28.8 t-80 -66.87 -22.96 65.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -77.13 -64.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.1 t -163.99 -67.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.585 ' O ' ' N ' ' A' ' 39' ' ' ASN . 7.5 t-20 66.76 176.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.563 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 14.5 m-85 62.45 -62.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.585 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.5 m120 -113.6 136.81 52.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.8 t -108.16 47.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ttp-105 -120.45 19.48 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 0.0 110.309 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 55' ' ' GLY . . . -50.22 119.47 3.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.573 HG22 ' CE2' ' A' ' 54' ' ' TYR . 5.8 p -150.15 131.72 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.7 t30 -151.27 103.04 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.82 149.14 24.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -161.81 103.79 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.12 -31.97 39.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.85 -42.92 1.17 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.428 1.08 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -120.15 30.56 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 0.818 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' A' ' 49' ' ' ASP . 3.6 tp60 33.49 54.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.526 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 53.8 p -146.48 150.48 35.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.173 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.539 HG23 ' CD1' ' A' ' 54' ' ' TYR . 98.9 m -135.07 154.54 51.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -124.22 99.48 6.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.573 ' CE2' HG22 ' A' ' 43' ' ' THR . 3.5 m-85 -126.29 158.41 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 42' ' ' ALA . . . 102.04 146.03 17.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.4 tt -53.54 -32.81 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CE1' HD22 ' A' ' 31' ' ' LEU . 34.6 m-85 -89.43 21.4 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 111.09 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 40.64 67.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.7 mt -89.96 133.26 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.622 1.202 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.1 t-20 -77.44 133.67 38.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -90.47 5.57 47.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.526 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 18.5 ttt180 -91.72 -20.24 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -122.66 -48.66 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.569 ' CD1' HG21 ' A' ' 99' ' ' VAL . 8.1 m-90 -110.74 154.47 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.039 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.8 OUTLIER 55.71 167.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -159.21 -167.87 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -121.97 -52.82 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.86 1.26 17.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -101.79 -17.26 16.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.592 0.819 . . . . 0.0 109.33 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -124.41 90.83 50.36 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 68.98 5.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -145.07 -50.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.72 164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' TYR . 14.9 p -120.04 53.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -50.26 96.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.46 -12.38 60.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.7 t -90.58 -36.95 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.11 55.64 18.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -150.78 173.52 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' ALA . 7.0 m-20 -89.13 120.47 30.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.8 m -47.01 -30.37 2.59 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -38.96 75.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' ASN . . . -61.13 -15.15 30.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 mt -102.26 13.02 35.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.83 25.31 4.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.37 -165.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.349 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -76.28 -56.16 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 109.216 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -77.85 136.83 38.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.574 HG21 ' CE2' ' A' ' 3' ' ' TYR . 44.3 pt -87.05 3.74 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 t -44.5 -47.54 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.431 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.59 -36.83 79.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 96' ' ' ALA . . . -61.71 -48.23 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.3 mt -64.88 -48.58 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.28 -45.62 68.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.4 t -70.62 -44.07 67.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 92' ' ' ALA . . . -51.97 -49.97 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 22.0 pttt -70.12 -40.53 74.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.539 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 8.0 ttt180 -62.78 -25.0 68.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 64' ' ' TRP . 17.5 t -85.9 -55.97 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.222 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -32.83 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -46.68 -27.83 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.302 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.485 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.18 177.65 1.67 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.07 -1.81 11.73 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -64.43 -61.91 1.93 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 0.0 110.354 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 77.27 153.21 5.53 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.552 HD12 ' CE3' ' A' ' 109' ' ' TRP . 1.0 OUTLIER -41.07 -29.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 0.805 . . . . 0.0 109.407 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' N ' ' C ' ' A' ' 105' ' ' GLY . 8.7 ttp180 -39.41 -35.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.18 -35.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.552 ' CE3' HD12 ' A' ' 106' ' ' ILE . 12.8 m-90 -90.48 57.12 3.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 113' ' ' ARG . 77.4 t -40.87 -29.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.434 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -45.28 -50.15 12.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.466 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -56.5 -39.48 73.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 107.99 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.466 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 9.3 ttp180 -61.72 -15.17 38.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.87 32.04 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.357 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.6 -45.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.67 -54.3 4.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 108.249 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.56 55.79 0.66 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -146.06 -61.63 0.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -170.07 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -88.58 99.53 12.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 30' ' ' CYS . 1.4 tm? -96.96 16.23 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.378 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.73 -27.43 40.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.71 -14.65 61.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.419 ' CB ' HD11 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -79.17 -25.87 42.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 126' ' ' ARG . 7.7 pt -101.83 -35.05 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.1 OUTLIER -74.85 122.5 23.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 45.6 t30 82.46 29.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' ILE . 0.3 OUTLIER -96.16 -32.89 12.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 111.92 38.4 1.41 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.595 1.185 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.562 0.801 . . . . 0.0 109.304 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 38' ' ' TYR . 2.4 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.816 ' CE2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -162.05 141.51 9.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.416 1.073 . . . . 0.0 111.04 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -109.44 174.08 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.92 -68.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -46.93 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.256 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -31.27 -68.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.816 ' CE1' ' CE2' ' A' ' 3' ' ' TYR . 1.6 t80 -42.53 -59.08 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.06 -51.46 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -63.1 -53.85 47.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.2 m -54.44 -54.35 42.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.51 -49.22 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -62.25 -29.23 70.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.83 -19.46 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -88.24 -40.71 13.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.01 41.87 1.62 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 ttt -122.42 -38.35 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -51.92 111.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 87.15 30.77 18.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' TYR . 22.6 t80 -47.92 178.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -33.86 -52.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.86 -64.52 0.2 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.65 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 11.5 t -44.6 122.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.14 151.79 21.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 4.5 tp -47.46 -46.94 27.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.67 95.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -62.54 -37.64 86.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.65 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 59.6 m95 -65.87 -61.05 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 108.046 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' GLN . 12.3 t -50.54 -55.1 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.489 ' CB ' HD23 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -52.33 -49.84 63.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.449 1.093 . . . . 0.0 108.265 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.51 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 1.5 tm? -48.89 -57.23 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.527 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -68.57 -20.69 64.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.388 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 29' ' ' VAL . 4.8 tm0? -66.12 -53.4 38.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' ND1' ' A' ' 115' ' ' HIS . 5.6 t-160 -64.09 -17.73 63.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.666 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 5.1 mm-40 -81.18 -66.69 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.8 p -164.07 -67.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' OD1' ' CE1' ' A' ' 3' ' ' TYR . 5.5 t30 73.69 170.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 3' ' ' TYR . 9.8 m-85 69.42 -58.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -138.7 131.58 29.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.428 ' CB ' ' HB ' ' A' ' 56' ' ' ILE . 18.3 p -76.66 54.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 110.381 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -6.7 58.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 55' ' ' GLY . . . -52.11 103.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.639 ' CG2' ' CD2' ' A' ' 54' ' ' TYR . 2.1 p -147.47 123.95 11.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.456 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.78 101.24 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -88.3 154.95 20.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -159.85 104.23 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -76.7 -34.73 58.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -37.15 -39.79 0.49 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.599 1.187 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 50' ' ' GLN . 36.5 t70 -125.33 33.04 5.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 49' ' ' ASP . 14.2 pt20 32.91 44.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 67.9 m -132.97 147.85 52.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.944 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.714 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.6 m -139.92 133.36 30.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 110.36 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -104.38 95.87 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.714 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 5.0 m-85 -126.05 159.77 31.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 111.058 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 58' ' ' GLN . . . 105.64 145.11 12.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.634 ' CD1' ' CE2' ' A' ' 3' ' ' TYR . 5.6 tt -51.13 -35.18 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.406 ' O ' ' NE1' ' A' ' 109' ' ' TRP . 22.2 m-85 -89.9 19.96 4.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' GLY . 3.6 tp60 42.27 69.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.1 mt -95.25 141.12 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -85.42 131.8 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.216 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' THR . 12.3 m -90.34 11.59 20.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.15 -19.99 24.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.362 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.56 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -126.22 -54.96 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.951 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CD1' HG21 ' A' ' 99' ' ' VAL . 1.4 m95 -97.41 160.55 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 58.21 160.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -140.42 -164.2 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -137.43 -51.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.2 -3.61 28.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -113.75 -13.3 12.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.9 m -121.25 86.78 43.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 55.33 3.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.54 -50.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.85 167.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 76' ' ' ALA . 14.3 p -119.99 47.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -41.24 96.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.521 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -84.76 -8.28 58.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 1.8 t -89.82 -30.7 17.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.436 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 64.68 51.21 53.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.1 OUTLIER -150.39 134.27 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -63.47 119.65 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -46.09 -26.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 80' ' ' ASN . 3.1 m -54.82 -35.98 64.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.86 -18.85 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 81' ' ' CYS . 0.7 OUTLIER -106.62 18.59 21.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.67 -75.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -143.94 31.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.02 -67.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -168.1 -179.85 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.213 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.6 pt -98.74 -17.81 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.4 -45.16 12.54 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.459 1.099 . . . . 0.0 110.485 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.85 82.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -63.2 -37.7 88.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.5 mt -71.97 -53.85 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -54.88 -47.08 74.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 110.363 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -69.5 -41.29 76.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 108.315 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -51.59 -48.04 63.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 3.8 ptpt -71.8 -43.56 65.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.469 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 2.7 ttt180 -63.22 -21.75 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.575 HG21 ' CD1' ' A' ' 64' ' ' TRP . 26.5 t -88.63 -58.09 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -31.63 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -48.28 -27.57 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.604 1.19 . . . . 0.0 110.372 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.474 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -71.62 176.6 2.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.0 Cg_endo -75.09 2.08 7.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -68.25 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 76.3 160.77 10.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.537 HD12 ' CZ3' ' A' ' 28' ' ' TRP . 3.6 mm -41.0 -29.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -42.71 -34.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.3 -34.93 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.528 ' CE3' HD11 ' A' ' 106' ' ' ILE . 19.1 m-90 -98.93 64.43 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 113' ' ' ARG . 76.3 t -41.61 -29.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -46.35 -48.72 18.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.087 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.407 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -53.96 -37.98 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 107.995 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 110' ' ' VAL . 7.5 ttt180 -61.33 -15.83 39.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.273 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.03 32.87 4.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.599 ' ND1' ' CE1' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -146.63 -46.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.671 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -54.59 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 108.319 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.68 56.95 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -144.83 -58.38 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.61 -170.3 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -94.31 100.51 12.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.489 HD23 ' CB ' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -93.01 15.05 15.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -24.35 62.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -12.66 60.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.461 ' CB ' HD22 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -77.52 -33.89 54.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 pt -96.22 -34.53 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 127' ' ' ASN . 18.8 tpt180 -76.88 109.87 11.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 163.68 -27.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -24.34 60.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.261 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 103.14 30.38 5.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.466 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 3.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' TYR . 8.6 m-85 -163.21 137.89 6.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 5' ' ' ARG . 22.9 pt-20 -99.31 174.68 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -37.49 -65.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -45.82 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 108.334 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -35.26 -65.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.49 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.8 OUTLIER -40.7 -51.33 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.11 -57.26 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -52.42 -54.92 25.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.6 m -51.13 -52.76 40.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mp -51.91 -56.67 12.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' CA ' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -61.05 -24.7 66.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' ARG . 1.3 ttt180 -81.91 -25.32 35.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.7 t30 -90.14 -44.02 10.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.22 42.33 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.474 ' HE3' ' CE1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -124.04 -38.42 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 111.018 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . . . -49.24 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' MET . . . 107.58 29.17 4.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.474 ' CE1' ' HE3' ' A' ' 17' ' ' MET . 5.6 t80 -47.25 177.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.981 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -31.82 -44.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.77 -66.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.6 HG11 ' CZ2' ' A' ' 28' ' ' TRP . 2.3 p -52.38 111.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -89.95 166.4 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -49.87 -31.53 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.76 67.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.52 ' OD1' ' CD1' ' A' ' 112' ' ' TRP . 54.0 t0 -65.71 -35.17 79.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.6 ' CZ2' HG11 ' A' ' 23' ' ' VAL . 86.4 m95 -66.37 -58.93 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 25' ' ' LEU . 60.4 t -50.79 -59.06 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.488 ' HB3' ' CD2' ' A' ' 121' ' ' LEU . 1.2 p -52.92 -45.13 67.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.518 HD13 ' CG ' ' A' ' 109' ' ' TRP . 22.8 tp -55.13 -52.56 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -66.44 -23.31 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' VAL . 35.2 tp60 -69.31 -53.2 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -64.83 -23.59 67.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.589 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 4.8 mm-40 -80.7 -59.66 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.365 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.78 -64.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 39' ' ' ASN . 4.9 t-20 65.42 179.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.503 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 5.5 m-85 61.3 -62.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.613 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.8 m-20 -127.62 145.26 50.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.479 HG23 ' CD1' ' A' ' 56' ' ' ILE . 52.8 p -98.15 55.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -90.45 -19.97 23.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.49 98.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.449 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 5.1 p -136.95 129.26 29.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.465 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.41 89.12 1.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.569 ' CE2' HG22 ' A' ' 52' ' ' THR . 38.4 m-85 -90.3 158.68 17.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -162.03 104.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.3 ttm180 -74.16 -32.1 62.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.26 -35.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -139.18 32.96 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 49' ' ' ASP . 21.5 tp60 34.18 53.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.424 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 93.2 p -137.88 116.15 11.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.569 HG22 ' CE2' ' A' ' 45' ' ' TYR . 2.3 m -112.87 152.52 29.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -135.97 105.43 6.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.701 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 p90 -152.63 167.66 28.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.59 156.96 10.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.479 ' CD1' HG23 ' A' ' 40' ' ' THR . 1.2 tt -46.89 -38.52 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CE1' ' HB1' ' A' ' 32' ' ' ALA . 18.5 m-85 -104.35 24.21 11.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 39.66 77.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.2 mt -96.17 149.86 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -90.61 135.37 33.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.66 0.61 57.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.424 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 1.3 ttt180 -88.07 -15.6 35.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.47 -60.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CD2' HG21 ' A' ' 99' ' ' VAL . 84.2 m95 -92.36 159.51 15.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.479 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.09 154.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 1.5 t-20 -134.87 -170.82 2.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -127.98 -48.78 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.52 -0.36 37.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -131.22 12.54 5.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 0.79 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -129.76 88.76 48.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.47 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.52 5.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.44 -62.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.84 162.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' ALA . 8.2 p -123.0 59.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 4.8 p-10 -43.08 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.486 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . . . -79.62 -10.06 59.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.9 t -91.32 -30.63 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.312 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.48 45.26 96.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -137.87 169.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' N ' HG12 ' A' ' 79' ' ' ILE . 4.3 m-20 -72.45 121.59 19.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.593 1.183 . . . . 0.0 109.378 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.429 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 1.3 m -51.02 -29.85 13.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 5.6 p -59.76 -23.59 63.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.476 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -65.91 -10.18 36.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.701 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 16.1 mt -101.9 6.08 41.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.6 tp -145.07 16.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 82' ' ' SER . 4.0 mm-40 -90.21 -172.45 3.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.17 -70.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -56.87 142.26 41.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' A' ' 93' ' ' ILE . 4.8 pt -95.62 -0.09 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 91' ' ' ALA . 10.0 t -42.81 -37.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.393 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -73.63 -43.45 59.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -56.6 -40.83 75.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 89' ' ' ILE . 8.7 mt -73.19 -53.93 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -54.64 -43.94 72.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.8 t -70.72 -43.66 68.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -51.55 -45.25 62.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -73.11 -44.43 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 12.4 tpt180 -60.75 -27.63 68.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 110.351 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.492 HG21 ' CD2' ' A' ' 64' ' ' TRP . 15.3 t -82.92 -56.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 102' ' ' ASP . 16.4 t -54.49 -30.54 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.46 -22.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.519 ' OD2' ' CG ' ' A' ' 104' ' ' GLN . 0.0 OUTLIER -57.95 174.82 0.31 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.224 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.94 -34.83 3.6 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.551 1.816 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.519 ' CG ' ' OD2' ' A' ' 102' ' ' ASP . 3.6 mm100 -56.84 -62.27 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 90.37 -178.49 43.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.513 ' CD1' ' CD2' ' A' ' 31' ' ' LEU . 4.0 mm -40.57 -29.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.581 0.812 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 105' ' ' GLY . 6.1 ttt180 -38.92 -38.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.04 -37.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.6 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 20.1 m-90 -96.71 67.01 2.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 113' ' ' ARG . 13.7 p -48.97 -23.33 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.79 -41.27 44.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.52 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -65.41 -30.95 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 107.946 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.496 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 34.6 ttt180 -66.94 -15.2 63.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.09 31.34 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 -44.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.74 -54.52 4.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 108.329 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -8.99 25.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -69.76 -64.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.45 -171.5 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -85.44 102.06 13.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 2.1 tt -91.72 14.03 16.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 m -72.17 -28.93 63.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -12.66 61.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.424 ' CB ' HD22 ' A' ' 121' ' ' LEU . 0.9 OUTLIER -76.39 -33.58 58.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.989 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.8 pt -92.61 -39.75 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -69.48 101.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.0 OUTLIER 161.75 -27.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -24.84 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 108.349 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 104.81 29.06 5.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.778 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.564 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 76.4 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.573 ' CE2' HG12 ' A' ' 89' ' ' ILE . 7.4 m-85 -155.28 107.5 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.2 176.02 5.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.573 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -45.16 -48.75 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -58.27 -76.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 108.266 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -36.66 -65.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.509 ' CE2' HD12 ' A' ' 12' ' ' LEU . 11.1 t80 -47.22 -50.95 19.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 5' ' ' ARG . . . -52.95 -50.58 63.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -57.43 -56.6 19.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ASN . 3.9 m -52.49 -56.07 17.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.509 HD12 ' CE2' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -48.83 -55.27 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -62.41 -26.1 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.8 tpt85 -81.09 -23.73 38.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -89.39 -42.53 11.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.44 51.98 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.02 -39.73 2.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.754 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -59.02 137.31 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.17 18.54 62.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 21' ' ' TYR . 5.3 t80 -48.86 179.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 0.789 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -31.68 -45.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.932 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.84 -66.09 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.477 ' CG1' HG13 ' A' ' 106' ' ' ILE . 4.6 m -42.63 112.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.94 162.71 14.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 109.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 24.7 tp -46.11 -44.94 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.95 94.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.0 -38.13 89.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.417 ' CZ3' HD11 ' A' ' 106' ' ' ILE . 87.5 m95 -65.04 -63.09 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 108.026 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' GLN . 2.8 t -45.53 -55.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HB2' ' CD1' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -49.63 -59.88 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.265 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 106' ' ' ILE . 4.6 tt -51.66 -41.54 61.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.12 68.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 34.4 tp60 -72.59 -52.83 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.473 ' CD2' ' CG ' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.02 -25.82 61.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.612 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.9 mm-40 -75.96 -64.63 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER 159.57 52.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.901 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 39' ' ' ASN . 1.9 t-20 -59.23 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 61.67 -62.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.614 1.196 . . . . 0.0 111.01 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.594 ' N ' ' O ' ' A' ' 37' ' ' ASN . 13.5 m120 -108.34 146.98 32.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.458 HG22 ' CD1' ' A' ' 3' ' ' TYR . 31.5 p -122.75 51.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.436 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -114.5 5.87 15.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.31 93.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 3.2 p -138.96 125.46 20.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.413 1.071 . . . . 0.0 110.439 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.4 92.28 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -88.89 159.28 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -162.49 106.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 48' ' ' GLY . 1.1 tpp180 -75.66 -31.08 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.15 -37.35 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.3 t0 -136.97 34.69 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.469 ' HG3' ' CB ' ' A' ' 70' ' ' THR . 7.7 tm0? 34.68 52.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 60.0 p -139.91 121.95 15.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.608 1.192 . . . . 0.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 61' ' ' SER . 2.1 m -117.49 131.24 56.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -108.82 103.37 12.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.62 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -153.21 169.05 23.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.047 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.34 148.07 9.66 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.451 1.094 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 92' ' ' ALA . 0.9 OUTLIER -47.4 -33.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' GLN . 3.5 m-30 -105.5 31.04 5.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 33.97 79.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.7 mt -105.41 142.7 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -87.49 140.27 29.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 52' ' ' THR . 4.5 m -90.7 1.84 56.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.963 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.513 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 6.4 ptm180 -88.62 -4.17 58.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -135.46 -44.74 0.68 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.438 ' O ' ' O ' ' A' ' 65' ' ' CYS . 9.9 m-90 -108.93 162.04 14.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.012 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.6 OUTLIER 60.61 146.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.414 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 6.0 p30 -117.25 170.63 8.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -136.5 -58.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.1 3.25 36.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.84 -16.05 27.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.469 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 1.2 m -145.2 106.06 4.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.82 4.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.801 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 -46.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.2 160.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' ALA . 5.2 p -123.6 54.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -40.12 99.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -84.38 -10.87 57.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.9 t -92.19 -37.82 12.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.309 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.75 53.94 21.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -148.51 151.19 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.8 . . . . 0.0 109.331 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -61.07 125.6 24.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 86.1 m -56.48 -36.03 68.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -25.03 19.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.01 -22.96 66.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.62 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 5.8 mt -96.65 7.39 46.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.33 19.72 12.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.2 -161.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -71.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.09 153.67 4.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.226 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 3' ' ' TYR . 7.8 pt -99.03 5.65 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.372 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.0 t -44.04 -32.44 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.4 55.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.486 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . . . -62.22 -38.39 89.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.428 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 13.4 mt -73.3 -52.08 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 2.5 tp60 -56.34 -42.7 78.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.3 t -70.62 -49.31 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 108.296 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.98 -45.49 31.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -72.01 -44.37 63.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.218 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.489 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 3.8 tpt180 -59.95 -24.52 64.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 56.4 t -86.34 -55.46 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.075 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 84.2 t -56.17 -27.52 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -52.09 -19.73 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.231 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.474 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -80.26 176.68 3.55 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.05 0.37 9.01 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.425 1.75 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.24 -63.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 79.6 160.82 21.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.539 HD13 ' CE3' ' A' ' 109' ' ' TRP . 1.2 mm -42.92 -28.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -40.7 -36.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.359 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.78 -35.85 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.539 ' CE3' HD13 ' A' ' 106' ' ' ILE . 9.6 m-90 -92.36 68.63 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 107.985 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 10.9 p -43.85 -27.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -49.33 -48.34 46.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.519 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -53.82 -28.6 36.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 108.027 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.466 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 9.6 ttp85 -69.21 -19.87 63.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -129.05 32.69 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.473 ' CG ' ' CD2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -150.72 -43.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.561 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.519 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 28.6 m -88.59 -62.89 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.73 55.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -128.88 -66.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.22 -168.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -85.39 97.35 9.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 1.5 tm? -100.36 16.81 23.23 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -25.85 38.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -69.6 -9.74 55.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.573 ' CE2' ' HD2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -77.62 -35.55 52.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.414 ' CG2' HG23 ' A' ' 29' ' ' VAL . 4.3 pt -92.32 -36.49 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 23.5 tpt180 -64.32 102.89 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 162.35 -28.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -25.28 59.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 102.93 27.61 6.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.582 0.813 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.575 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 3.3 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 2' ' ' VAL . 3.2 m-85 -166.04 123.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' ARG . 10.0 pt-20 -103.93 167.4 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -38.85 -58.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -53.09 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.165 . . . . 0.0 108.274 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -35.62 -64.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 110.27 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.496 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 6.3 t80 -40.33 -55.99 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.92 -54.58 40.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -48.13 -59.83 3.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASN . 3.5 m -52.99 -56.8 13.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -49.38 11.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -32.15 73.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' THR . 12.5 ttt180 -74.16 -25.83 59.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.57 -40.09 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.24 48.92 0.74 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.403 ' HE1' ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -124.21 -39.06 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.62 108.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.04 34.87 25.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' TYR . 55.0 t80 -47.76 176.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -35.84 -46.98 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -124.05 -56.87 0.18 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.421 1.076 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.567 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 39.9 t -50.22 124.44 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.431 0.724 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -90.37 146.74 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -49.04 -45.02 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.86 -45.97 85.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.608 ' HA ' ' CE3' ' A' ' 112' ' ' TRP . 6.0 t0 -63.49 -34.27 77.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.567 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 7.5 m95 -64.13 -62.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.477 ' CG2' HG21 ' A' ' 125' ' ' ILE . 58.2 t -54.42 -59.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.353 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 33' ' ' GLN . 4.4 t -43.33 -57.68 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.577 ' CD1' ' CE3' ' A' ' 109' ' ' TRP . 3.0 tt -49.48 -48.14 48.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -65.21 -23.76 67.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' VAL . 8.2 tp-100 -76.0 -57.64 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.49 ' CD2' ' HB3' ' A' ' 111' ' ' ALA . 34.3 t-80 -57.74 -26.19 61.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.671 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' OE2' ' NE1' ' A' ' 109' ' ' TRP . 8.3 mm-40 -75.3 -59.98 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.7 t -174.69 -63.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' A' ' 39' ' ' ASN . 7.7 t30 65.69 -175.75 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.575 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 16.0 m-85 62.14 -60.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.615 ' N ' ' O ' ' A' ' 37' ' ' ASN . 28.8 t-20 -139.75 154.57 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.7 p -102.03 51.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.369 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -82.6 -19.88 37.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 110.272 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.92 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.492 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 6.6 p -138.08 121.11 16.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -140.71 89.59 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.205 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -89.02 154.17 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -161.73 103.37 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.9 ttt180 -76.02 -31.94 59.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.55 -33.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -137.0 33.47 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' ASP . 41.9 tp60 35.95 53.47 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.537 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 95.5 p -138.35 140.61 39.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 61' ' ' SER . 7.7 m -142.07 129.93 21.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER -112.58 105.92 14.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.699 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.4 p90 -153.79 166.05 34.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.12 152.93 9.46 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 tt -49.23 -33.12 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.22 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.409 ' O ' ' OE2' ' A' ' 35' ' ' GLU . 6.1 m-85 -104.43 21.63 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PHE . 2.4 tt0 38.53 82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.354 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.3 mt -108.1 147.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.4 OUTLIER -90.83 138.26 31.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' THR . 22.9 t -91.03 2.08 56.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.051 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.537 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 3.1 ptm180 -89.28 8.7 29.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -150.32 -48.31 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.434 ' O ' ' O ' ' A' ' 65' ' ' CYS . 20.9 m-90 -109.08 163.63 13.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 107.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 61.83 140.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 108.294 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.542 ' ND2' HD21 ' A' ' 75' ' ' ASN . 3.2 p30 -120.54 -178.78 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 24.6 t0 -132.92 -47.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.12 -1.75 54.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -114.67 -5.73 12.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 m -129.78 90.77 42.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.85 -56.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.45 160.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' ALA . 3.1 p -120.8 52.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.542 HD21 ' ND2' ' A' ' 66' ' ' ASN . 34.2 p-10 -38.09 97.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.175 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -84.28 -12.29 54.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.1 t -90.22 -38.01 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 108.291 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.16 56.32 10.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.419 HD13 ' CB ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -145.64 149.45 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.581 0.812 . . . . 0.0 109.271 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -57.23 124.5 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.436 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 3.1 m -51.24 -34.75 33.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 108.268 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.507 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -59.7 -25.2 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 91' ' ' ALA . . . -62.29 -15.13 45.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.699 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 17.9 mt -98.73 2.66 47.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.75 11.73 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 82' ' ' SER . 2.0 mm-40 -90.37 -172.33 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.55 -71.28 0.5 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.409 1.068 . . . . 0.0 109.33 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -53.27 126.44 21.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 93' ' ' ILE . 2.0 pt -86.43 1.91 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.77 -35.95 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 83' ' ' ALA . . . -75.43 -40.28 57.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -59.66 -40.65 88.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.471 ' CD1' HD11 ' A' ' 89' ' ' ILE . 7.9 mt -74.95 -52.59 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.481 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 4.4 tp60 -56.23 -43.34 78.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 99' ' ' VAL . 11.1 t -69.85 -53.72 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.347 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -43.6 -48.4 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 5.1 pttt -72.01 -40.15 68.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.545 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 8.1 tpt180 -63.03 -23.31 67.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 42.9 t -88.71 -57.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.98 -27.37 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -19.34 3.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.5 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -75.52 177.93 2.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.04 1.83 7.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.83 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 83.37 158.59 26.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.552 HD11 ' CE3' ' A' ' 109' ' ' TRP . 7.8 mm -41.38 -27.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.45 0.735 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 105' ' ' GLY . 7.5 ttt180 -35.28 -34.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 106' ' ' ILE . . . -44.73 -35.73 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.577 ' CE3' ' CD1' ' A' ' 31' ' ' LEU . 16.0 m-90 -104.62 50.31 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' A' ' 113' ' ' ARG . 12.2 p -42.7 -24.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.49 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . . . -44.44 -49.08 9.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.743 ' CE3' ' CB ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.22 -35.37 73.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 108.085 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -76.07 -9.27 58.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.218 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.01 29.45 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.3 OUTLIER -152.56 -46.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.612 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.743 ' CB ' ' CE3' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -89.36 -50.27 6.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 59.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 116' ' ' CYS . 4.9 t30 -156.88 -44.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.51 -170.23 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -96.14 99.41 11.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.489 ' CD1' ' SG ' ' A' ' 116' ' ' CYS . 0.8 OUTLIER -100.54 17.73 20.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -22.89 56.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 123' ' ' GLN . 8.7 tp60 -72.38 -13.74 61.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -31.0 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.477 HG21 ' CG2' ' A' ' 29' ' ' VAL . 2.0 pt -99.51 -34.35 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 7.2 tpt180 -82.36 110.36 17.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 160.49 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -24.2 59.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 108.54 33.05 2.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' A' ' 38' ' ' TYR . 74.3 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.732 ' CZ ' ' CD1' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -158.38 156.88 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.83 -177.78 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.51 -64.75 0.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 7' ' ' GLU . 75.2 m -44.47 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 108.4 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.1 mm-40 -32.26 -65.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.732 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 t80 -44.63 -55.44 5.21 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.423 1.077 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.96 -51.66 39.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.94 -57.54 11.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.1 m -54.55 -54.17 44.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.35 -51.73 18.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -66.17 -29.46 69.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -75.75 -24.74 56.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -89.45 -39.93 13.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.97 45.71 0.74 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.451 ' SD ' ' CD1' ' A' ' 20' ' ' TYR . 48.2 tpp -123.22 -38.35 2.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 0.802 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . . . -50.13 110.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.72 32.95 23.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.451 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 15.8 t80 -49.22 179.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -36.41 -50.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.16 -60.42 0.2 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.65 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 11.1 t -49.2 121.39 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.9 t -90.23 147.21 23.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 16.4 tp -46.08 -45.81 16.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -59.9 -40.2 87.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 5.3 m-20 -65.48 -38.02 88.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.65 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 27.7 m95 -63.55 -58.15 7.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' GLN . 43.1 t -52.35 -62.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.484 ' HB2' ' CD2' ' A' ' 121' ' ' LEU . 1.1 p -49.21 -45.45 44.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 108.38 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 33.8 tp -55.53 -54.45 43.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.377 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.26 -18.9 65.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' NE2' ' HH ' ' A' ' 124' ' ' TYR . 29.7 tp60 -72.75 -56.64 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -66.87 -19.44 65.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -78.56 -66.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -158.97 -70.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 2.5 t-20 67.32 172.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.53 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 9.0 m-85 71.62 -58.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 2' ' ' VAL . 12.0 t-20 -134.2 150.13 51.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.448 ' N ' ' OD1' ' A' ' 39' ' ' ASN . 10.4 p -111.21 67.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.422 ' N ' ' OD1' ' A' ' 39' ' ' ASN . 34.3 ttm180 -112.98 -2.19 14.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 55' ' ' GLY . . . -40.46 102.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.6 HG22 ' CD2' ' A' ' 54' ' ' TYR . 9.2 p -146.25 115.38 7.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.21 96.9 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.454 ' HA ' ' CG2' ' A' ' 52' ' ' THR . 28.8 p90 -87.47 155.6 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -161.6 104.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -31.08 62.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -36.5 -36.3 0.15 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -130.37 32.72 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 49' ' ' ASP . 36.4 tp60 35.09 53.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.548 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 85.8 p -145.1 154.79 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.685 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 10.9 m -146.5 130.47 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' HB3' ' NE2' ' A' ' 58' ' ' GLN . 23.1 m-20 -95.91 92.83 6.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.685 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 3.2 m-85 -122.21 156.33 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 42' ' ' ALA . . . 100.47 144.32 15.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.646 HD11 ' CE2' ' A' ' 3' ' ' TYR . 16.4 tt -51.63 -31.76 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.414 ' N ' HG22 ' A' ' 56' ' ' ILE . 17.0 m-85 -89.48 21.25 3.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 53' ' ' ASP . 7.5 tp60 38.81 67.36 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.1 mt -93.07 136.42 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -81.35 131.42 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 6.7 t -83.07 7.23 16.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.548 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 5.0 ptm180 -91.38 11.28 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -151.18 -48.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.073 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.568 ' CD1' HG23 ' A' ' 99' ' ' VAL . 13.9 m95 -119.88 155.22 33.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.017 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.442 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 61.99 132.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 108.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -161.75 -166.75 1.53 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.411 ' OD2' ' CB ' ' A' ' 69' ' ' LYS . 1.7 t0 -118.58 -53.57 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.26 -2.24 20.67 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' CB ' ' OD2' ' A' ' 67' ' ' ASP . 2.4 tttp -99.25 -8.03 25.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.632 0.842 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 70' ' ' THR . 8.3 t -108.94 103.4 51.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.15 3.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.22 -68.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -173.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -150.54 97.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.432 ' ND2' ' H ' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -67.36 63.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -55.41 -17.92 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 1.4 t -88.18 -29.99 20.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.381 1.051 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.467 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.04 53.58 25.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -152.6 149.56 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.561 0.8 . . . . 0.0 109.229 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' SER . 2.2 m-20 -75.64 124.28 26.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.417 ' SG ' ' OG ' ' A' ' 61' ' ' SER . 71.8 m -45.85 -27.16 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' ASN . 5.6 t -55.57 -39.17 70.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -18.92 27.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -100.24 13.63 33.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.502 HD11 ' CE2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -129.86 23.26 5.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -119.74 -168.09 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.3 -62.12 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.44 112.14 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' ALA . 20.3 pt -86.57 2.41 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.82 -36.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.87 -42.32 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -60.12 -40.03 88.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.2 mt -71.12 -49.6 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.13 -48.84 75.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -68.33 -41.33 80.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.285 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -50.93 -50.68 57.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 13.1 pttt -69.71 -43.77 71.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.487 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -61.62 -23.29 65.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 64' ' ' TRP . 14.1 t -85.53 -57.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.66 -28.23 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -52.38 -20.15 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.472 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -78.38 176.59 3.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.227 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -74.97 0.96 8.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -66.97 -60.84 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 107' ' ' ARG . . . 76.54 157.8 7.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.47 ' CD1' HD21 ' A' ' 31' ' ' LEU . 4.3 mm -39.45 -30.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.241 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 105' ' ' GLY . 25.6 ttt180 -40.11 -36.2 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.26 -35.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.429 ' CG ' HD12 ' A' ' 31' ' ' LEU . 25.4 m-90 -97.88 62.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 113' ' ' ARG . 63.3 t -40.26 -30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -44.87 -50.22 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.01 -39.72 75.28 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.49 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -63.12 -15.4 56.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.395 1.06 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.45 30.92 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.84 -47.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.638 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.567 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.4 OUTLIER -89.38 -53.41 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.356 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.77 55.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -141.92 -62.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.57 -170.0 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -88.8 100.08 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 30' ' ' CYS . 13.1 tp -101.03 20.12 16.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -72.4 -25.34 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.13 -12.49 60.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.52 ' HH ' ' NE2' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -76.4 -28.64 56.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 111.042 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.42 ' CG2' HG21 ' A' ' 29' ' ' VAL . 1.1 pt -106.0 -31.45 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -78.22 131.52 37.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 72.26 22.5 3.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -89.18 -35.76 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 108.346 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 175.75 -33.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.2 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.449 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 95.5 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.587 ' O ' ' N ' ' A' ' 38' ' ' TYR . 2.3 m-85 -164.48 102.62 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.421 ' HA ' ' N ' ' A' ' 38' ' ' TYR . 7.2 pt-20 -109.46 172.32 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.574 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 15.5 ptt-85 -37.07 -56.61 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.0 m -55.54 -80.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 108.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' CYS . 2.1 mm-40 -34.01 -65.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 56' ' ' ILE . 8.9 t80 -42.83 -49.6 5.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . . . -58.02 -55.05 39.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' ARG . 18.3 ttt85 -48.42 -55.69 10.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ASN . 12.5 m -53.96 -54.71 35.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.445 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.59 -53.32 11.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -26.09 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 10' ' ' ARG . 57.6 ttt180 -76.74 -24.32 53.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.1 t-20 -89.04 -40.86 12.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.23 50.94 1.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.1 tpt -118.04 -36.46 3.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.573 0.807 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -62.91 152.47 36.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 85.56 10.76 76.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' GLY . 1.4 t80 -46.94 177.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.76 -55.86 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -122.56 -65.79 0.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.595 HG21 ' CD1' ' A' ' 28' ' ' TRP . 4.4 p -45.0 105.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASP . 58.3 p -90.2 161.94 15.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.574 1.171 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 21.0 tp -43.59 -45.45 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.42 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.55 ' OD1' ' CD1' ' A' ' 112' ' ' TRP . 37.6 t0 -63.17 -39.37 94.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.595 ' CD1' HG21 ' A' ' 23' ' ' VAL . 87.3 m95 -65.87 -59.69 3.6 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG21 ' CG2' ' A' ' 125' ' ' ILE . 32.4 t -45.6 -56.66 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 31' ' ' LEU . 5.9 p -57.51 -48.4 79.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 57' ' ' PHE . 2.7 tm? -50.18 -49.68 51.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.22 -20.1 57.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.583 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 4.5 tm0? -66.64 -53.18 36.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.478 ' CD2' ' HB3' ' A' ' 111' ' ' ALA . 3.5 t60 -56.3 -21.71 25.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.2 mm-40 -81.78 -62.52 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER 157.63 72.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.04 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.576 ' CG ' ' O ' ' A' ' 37' ' ' ASN . 5.4 p30 -71.96 107.18 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CZ ' ' HB2' ' A' ' 39' ' ' ASN . 2.5 p90 174.92 -33.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.639 ' HB2' ' CZ ' ' A' ' 38' ' ' TYR . 3.3 m120 -150.38 160.71 43.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.464 ' O ' ' OG1' ' A' ' 40' ' ' THR . 0.7 OUTLIER -119.84 44.7 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' ALA . 14.7 ttt180 -114.8 -20.74 10.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' ARG . . . -38.86 106.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 4.8 p -138.54 146.86 42.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.8 m120 -151.39 93.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -92.08 162.51 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -162.47 104.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . 13.9 ttt180 -76.97 -29.58 55.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -32.79 -36.81 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' ARG . 11.1 t0 -139.0 35.13 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.2 tp-100 34.96 55.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.547 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 97.0 p -143.91 110.0 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.542 HG22 ' CE2' ' A' ' 54' ' ' TYR . 1.2 m -105.88 164.22 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -152.0 114.72 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.542 ' CE2' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -152.02 176.73 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.63 156.64 23.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.57 HG22 ' CE1' ' A' ' 8' ' ' PHE . 1.2 mm -47.29 -45.84 9.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.548 0.793 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 31' ' ' LEU . 33.2 m-85 -89.48 16.93 6.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 40.4 71.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 10.6 mt -88.21 143.97 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.436 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 11.4 t-20 -86.6 139.12 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.431 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -92.66 -0.54 57.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.547 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 13.8 ttt-85 -88.76 -29.83 19.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -106.65 -65.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 111.033 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.589 ' CD1' HG22 ' A' ' 99' ' ' VAL . 26.7 m-90 -69.51 -125.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.58 1.175 . . . . 0.0 107.933 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -36.11 150.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.434 ' CG ' ' HB3' ' A' ' 75' ' ' ASN . 1.9 m-20 -135.1 179.25 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -108.46 -56.74 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.17 -4.56 26.94 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -95.99 -10.04 29.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 0.736 . . . . 0.0 109.237 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 t -130.27 92.16 36.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.38 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 55.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.42 -46.35 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.82 -164.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 63' ' ' TYR . 3.1 p -150.25 84.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.379 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.434 ' HB3' ' CG ' ' A' ' 66' ' ' ASN . 38.7 p-10 -55.7 99.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.56 -21.85 41.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.39 -32.78 16.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.41 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.23 57.68 10.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.41 ' CG2' ' C ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER -148.86 162.24 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.03 130.4 40.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 61' ' ' SER . 1.3 m -63.4 -37.42 87.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -26.58 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.06 -26.4 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 3.3 mt -91.89 6.95 44.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.252 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.01 24.81 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.61 -164.55 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -60.94 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.38 161.99 15.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 92' ' ' ALA . 3.5 pt -103.02 6.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -43.76 -34.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.5 -40.25 67.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -64.62 -37.72 88.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 12.7 mt -71.87 -48.99 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -55.38 -49.23 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.6 t -68.27 -44.18 76.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.415 1.072 . . . . 0.0 108.288 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -51.44 -50.02 60.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.531 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -68.63 -40.76 80.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.395 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.531 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 2.0 tpt180 -66.22 -20.57 66.16 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.589 HG22 ' CD1' ' A' ' 64' ' ' TRP . 42.7 t -86.83 -54.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.419 ' CG2' HG12 ' A' ' 106' ' ' ILE . 70.2 t -58.76 -34.84 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -67.4 -15.4 63.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.527 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -83.67 179.13 2.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.527 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.91 3.8 5.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -78.02 -62.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 75.9 149.84 2.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.448 HD12 ' CE3' ' A' ' 109' ' ' TRP . 2.6 mm -42.31 -28.59 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.218 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 105' ' ' GLY . 3.8 ttt180 -39.75 -36.3 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.367 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.8 -35.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.518 ' CG ' HD21 ' A' ' 31' ' ' LEU . 12.2 m-90 -96.87 65.82 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 108.028 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 113' ' ' ARG . 8.7 p -40.33 -29.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.478 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . . . -43.78 -51.17 7.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.55 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -55.61 -40.61 72.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 107.983 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 110' ' ' VAL . 18.4 ttt85 -61.0 -14.47 23.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.34 33.84 4.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.411 ' CG ' ' HD1' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -150.61 -45.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.478 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.0 -54.18 4.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.307 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 56.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -148.16 -58.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.42 -169.75 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.15 101.54 14.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 1.9 tm? -90.72 9.84 28.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -23.57 53.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -69.31 -13.69 62.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -77.42 -33.25 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.495 ' CG2' HG21 ' A' ' 29' ' ' VAL . 7.7 pt -92.7 -35.79 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.7 OUTLIER -60.19 109.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 51.9 t30 81.6 25.22 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -93.57 -34.79 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 171.72 -33.08 0.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.245 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 38' ' ' TYR . 33.2 m-85 -134.69 116.25 14.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.84 169.34 8.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 -68.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -45.38 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 108.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -35.01 -66.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.345 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -41.85 -49.62 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.19 -56.04 27.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -50.0 -57.13 8.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.0 m -51.03 -53.8 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.483 HD23 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -48.85 -57.36 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.39 -23.53 67.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 10' ' ' ARG . 5.8 tpt180 -80.03 -25.14 40.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.1 t30 -89.14 -43.38 11.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.46 40.75 0.84 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' A' ' 20' ' ' TYR . 32.8 tpp -121.1 -37.46 2.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 0.819 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . . . -43.16 105.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 97.6 31.5 6.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.599 1.187 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 4.4 t80 -44.22 174.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.63 -32.48 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.52 1.137 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -150.02 -43.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.657 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 27.9 t -67.11 114.69 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.87 156.19 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 0.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.487 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -54.86 -37.08 65.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.07 -53.73 53.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.702 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -64.31 -35.22 80.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.657 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 9.6 m95 -57.26 -53.63 55.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 107.982 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' GLN . 87.0 t -60.98 -54.75 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -51.15 -45.64 61.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.584 HD23 ' CE3' ' A' ' 109' ' ' TRP . 13.5 tp -60.86 -60.98 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -54.1 -27.64 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 38' ' ' TYR . 16.0 tp60 -69.61 -54.23 14.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.417 ' HD1' ' CG ' ' A' ' 115' ' ' HIS . 3.3 t60 -55.68 -26.32 44.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.647 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 5.5 mm-40 -80.65 -64.59 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.44 -67.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.574 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 18.1 t30 57.58 -164.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.635 ' CE2' ' NE2' ' A' ' 33' ' ' GLN . 33.5 m-85 62.81 -61.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -135.24 127.98 31.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.3 p -69.68 57.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.442 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.402 ' O ' ' OG1' ' A' ' 43' ' ' THR . 1.6 ttp180 -109.4 2.75 20.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 55' ' ' GLY . . . -54.25 98.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.563 HG23 ' CE2' ' A' ' 54' ' ' TYR . 3.0 p -148.53 123.97 10.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -150.5 100.53 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -88.8 154.21 20.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -161.34 105.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -30.92 56.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.82 -44.15 1.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -121.67 30.56 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 0.728 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' ASP . 52.3 tp60 36.66 47.42 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 p -135.07 150.6 50.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.648 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.7 m -142.84 132.43 23.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -103.31 99.34 9.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.648 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 4.5 m-85 -128.0 158.82 36.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' ALA . . . 101.61 148.15 21.04 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 37' ' ' ASN . 9.4 tt -51.64 -33.13 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . 18.3 m-85 -91.69 20.3 5.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' GLY . 2.0 tp60 39.04 66.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.5 mt -89.26 137.1 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 p-10 -81.0 132.3 35.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.408 1.068 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.1 t -90.39 14.85 11.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -19.32 26.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.418 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . 1.7 m-85 -134.53 -47.96 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.45 ' CE2' HG11 ' A' ' 99' ' ' VAL . 6.2 m0 -93.57 159.66 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.402 ' SG ' ' OG ' ' A' ' 61' ' ' SER . 0.7 OUTLIER 52.33 177.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -151.69 -169.49 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -129.19 -50.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.96 -0.0 10.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -145.36 35.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 t -132.64 83.21 54.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 53.66 3.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -150.47 -50.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.99 160.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' ASN . 5.2 p -120.72 49.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' VAL . 38.0 p-10 -37.38 101.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.91 -19.82 40.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.637 1.21 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.417 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 2.0 t -88.94 -32.5 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.452 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.21 50.92 54.31 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.538 1.149 . . . . 0.0 111.066 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.452 ' CG2' ' C ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -151.14 145.08 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -64.19 124.91 22.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.58 -25.72 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 108.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -33.07 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.955 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.92 43.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.35 2.41 42.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' CD1' ' CG2' ' A' ' 43' ' ' THR . 0.4 OUTLIER -115.41 20.33 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -95.33 -163.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -87.23 -50.74 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -73.4 118.4 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ALA . 18.2 pt -82.21 2.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -43.24 -40.73 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.85 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.466 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -62.31 -39.33 92.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.171 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 15.7 mt -73.81 -51.75 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.427 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 20.3 tt0 -55.69 -43.09 76.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.3 t -73.03 -43.41 62.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -53.22 -40.03 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 11.1 ptmt -77.87 -44.29 27.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.48 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.1 tpt85 -59.45 -26.58 65.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.45 HG11 ' CE2' ' A' ' 64' ' ' TRP . 44.1 t -89.91 -56.1 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.395 1.06 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 102' ' ' ASP . 3.3 t -52.36 -28.49 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -45.29 -23.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -67.6 176.69 1.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -74.95 -26.83 10.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -87.93 -63.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.422 ' CA ' ' HA ' ' A' ' 100' ' ' VAL . . . 46.67 -116.51 2.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.648 ' CG2' ' CE3' ' A' ' 112' ' ' TRP . 8.1 mm -43.64 -42.3 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.49 -32.11 3.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.93 -34.09 58.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.584 ' CE3' HD23 ' A' ' 31' ' ' LEU . 6.3 m-90 -98.82 62.73 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 108.024 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 109' ' ' TRP . 7.9 p -39.17 -35.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -39.51 -52.4 2.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.702 ' CZ2' ' HB3' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -48.29 -59.76 3.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 1.183 . . . . 0.0 107.945 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.53 -18.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 111' ' ' ALA . . . -127.39 34.5 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 16.7 t60 -150.82 -55.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.583 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -87.51 -52.26 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.22 57.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' CYS . 3.8 t30 -149.35 -50.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.42 -170.49 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -91.22 104.1 16.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.55 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 2.1 tm? -89.3 13.45 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 t -79.38 -16.5 56.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.7 -12.64 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.203 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.489 ' CB ' HD12 ' A' ' 121' ' ' LEU . 0.3 OUTLIER -81.64 -38.62 25.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.8 pt -88.75 -38.74 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.422 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 5.4 tpt180 -63.31 99.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER 161.71 -27.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -24.36 60.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 101.03 28.73 6.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.801 ' CD1' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -145.8 135.52 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.981 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.52 160.39 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.83 -65.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.525 ' O ' ' C ' ' A' ' 7' ' ' GLU . 78.3 m -45.52 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 108.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -28.92 -68.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.801 ' CD1' ' CD1' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -44.67 -53.49 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . -50.6 -51.73 45.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -57.57 -52.51 65.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ASN . 11.4 m -57.59 -55.56 33.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -50.26 35.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -65.25 -31.07 72.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -76.94 -23.27 52.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.1 t-20 -88.61 -40.23 13.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.2 65.74 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.105 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.3 tpp -149.38 -42.25 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 111.082 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.45 118.19 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.4 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.6 26.64 41.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.598 1.186 . . . . 0.0 111.061 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 21' ' ' TYR . 27.0 t80 -48.55 178.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -36.14 -53.09 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -116.65 -57.86 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG12 ' CD1' ' A' ' 28' ' ' TRP . 5.3 t -47.2 120.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 0.768 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -90.12 141.75 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.9 tp -43.94 -43.08 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.76 97.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.604 ' HA ' ' CZ3' ' A' ' 112' ' ' TRP . 57.2 t0 -64.3 -39.17 93.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.566 ' CD1' HG12 ' A' ' 23' ' ' VAL . 28.5 m95 -61.3 -59.61 5.02 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' GLN . 38.5 t -57.53 -59.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' GLN . 13.9 t -46.78 -56.74 5.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 108.299 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.3 tt -47.9 -52.37 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -63.83 -24.04 67.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' VAL . 2.0 tt0 -70.89 -53.73 14.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -64.16 -24.2 67.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -75.87 -63.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -154.9 -71.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.055 . . . . 0.0 110.051 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.668 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . 3.4 t30 60.67 166.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.561 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 1.7 m-85 64.55 -60.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 37' ' ' ASN . 9.1 m120 -112.73 146.51 38.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.429 ' HB ' ' CG1' ' A' ' 56' ' ' ILE . 1.5 p -121.89 52.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.466 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -119.01 8.32 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.09 107.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.02 130.19 20.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.0 m-80 -150.28 91.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -88.47 155.81 19.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -159.2 104.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -78.11 -30.77 49.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.82 -36.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -135.15 33.86 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' ASP . 38.8 tp60 34.32 55.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.529 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 19.5 p -144.1 103.75 4.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 61' ' ' SER . 20.2 m -98.96 128.58 45.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.1 m-20 -110.23 106.2 15.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.699 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.6 p90 -153.5 166.15 33.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.18 152.06 9.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.469 HD13 ' CE2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -51.23 -29.18 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -105.01 16.67 25.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 41.82 84.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.75 146.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.444 ' HA ' ' O ' ' A' ' 52' ' ' THR . 2.7 t-20 -91.84 142.28 27.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' THR . 29.7 t -91.63 4.79 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.529 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.07 -11.28 44.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.442 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -131.4 -42.95 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CD1' HG23 ' A' ' 99' ' ' VAL . 30.1 m-90 -108.67 166.32 10.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 57.86 160.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.345 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -145.83 -169.28 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -133.2 -56.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.48 -0.1 30.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -120.92 5.29 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 70' ' ' THR . 14.5 t -146.67 91.89 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.85 5.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.52 -50.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.57 146.31 49.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.4 p -104.85 58.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -40.28 98.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.95 -13.71 57.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.3 t -90.53 -35.23 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.7 54.91 16.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.43 HD11 ' CB ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -147.04 155.95 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 2.2 m-80 -63.36 130.7 45.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.443 ' CA ' ' OH ' ' A' ' 54' ' ' TYR . 22.0 m -55.43 -45.19 76.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -21.94 12.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 80' ' ' ASN . . . -63.28 -22.6 66.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.699 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 75.0 mt -96.75 12.05 33.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.51 28.4 4.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.92 -163.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -64.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.13 155.52 38.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.714 ' CD1' ' CE1' ' A' ' 8' ' ' PHE . 22.6 pt -95.73 7.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.11 -39.92 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.76 -37.92 67.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -62.11 -37.15 84.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 14.1 mt -75.34 -54.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 11.9 tm0? -54.9 -45.13 74.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' VAL . 7.2 t -69.41 -53.11 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -43.89 -45.1 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 1.3 pttt -74.25 -41.25 61.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.5 tpt180 -62.92 -23.58 67.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.564 HG23 ' CD1' ' A' ' 64' ' ' TRP . 39.5 t -89.0 -58.21 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.414 ' CG2' HG12 ' A' ' 106' ' ' ILE . 0.3 OUTLIER -53.26 -31.89 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 100' ' ' VAL . 1.0 OUTLIER -44.95 -28.25 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 110.321 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.482 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -53.3 177.54 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.04 -25.86 11.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.444 ' CG ' ' HB3' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -52.63 -92.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.462 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 125.45 163.54 11.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 31' ' ' LEU . 2.2 mm -39.7 -29.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 105' ' ' GLY . 1.7 tmm_? -37.73 -37.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.496 ' CD2' HD12 ' A' ' 31' ' ' LEU . 24.7 m-90 -95.85 49.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 108.004 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' ARG . 9.5 p -39.46 -29.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' TRP . . . -40.64 -51.27 3.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.688 ' CE3' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.64 -47.22 82.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 108.027 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -68.46 -7.41 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.0 32.01 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.6 OUTLIER -151.76 -51.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.648 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.688 ' HB2' ' CE3' ' A' ' 112' ' ' TRP . 1.3 m -89.19 -55.89 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 108.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 116' ' ' CYS . 2.1 tp60 -35.3 -32.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 116' ' ' CYS . 15.7 t30 -50.93 -53.92 28.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 116' ' ' CYS . 1.0 OUTLIER -130.23 -168.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -95.51 102.75 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.502 HD21 ' CG ' ' A' ' 124' ' ' TYR . 0.4 OUTLIER -97.02 18.57 14.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.0 m -68.98 -17.95 64.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -76.27 -8.53 57.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.502 ' CG ' HD21 ' A' ' 121' ' ' LEU . 2.0 t80 -75.28 -27.97 59.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.7 pt -103.96 -29.0 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 1.4 tpt180 -71.6 119.74 16.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 48.4 t30 82.26 26.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -98.65 -31.21 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 114.86 36.35 1.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.317 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -127.53 106.28 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 5' ' ' ARG . 10.5 pt-20 -100.9 165.61 11.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.53 1.144 . . . . 0.0 110.238 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.541 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -37.52 -57.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.7 m -55.08 -80.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -33.52 -64.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.38 1.05 . . . . 0.0 110.281 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.524 ' CE2' ' CB ' ' A' ' 32' ' ' ALA . 10.2 t80 -45.03 -50.28 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.47 -51.78 67.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 14' ' ' ARG . 29.4 ttp180 -51.48 -55.1 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 14' ' ' ARG . 19.8 m -55.88 -56.39 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.437 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.46 -51.74 11.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -69.33 -26.31 64.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.5 tpt85 -74.28 -25.83 59.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -89.64 -39.93 12.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.61 43.94 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.461 ' HE1' ' CZ2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -123.61 -38.04 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 110.993 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' CB ' ' CD1' ' A' ' 25' ' ' LEU . . . -49.2 105.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 87.43 34.93 9.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.411 1.069 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 21' ' ' TYR . 44.0 t80 -48.31 179.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 0.79 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.508 ' HB2' ' CD2' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -32.0 -54.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.03 -65.11 0.27 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.584 HG11 ' CD1' ' A' ' 28' ' ' TRP . 23.3 t -40.6 129.23 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.29 156.62 18.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 33.8 tp -61.46 -46.3 90.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -55.78 -46.8 77.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.419 1.074 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.609 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 25.8 m-20 -66.83 -35.87 81.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.182 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CD1' HG11 ' A' ' 23' ' ' VAL . 2.2 m95 -58.79 -50.18 74.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.0 -59.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -48.83 -49.75 37.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.247 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.558 HD12 ' CD1' ' A' ' 109' ' ' TRP . 25.3 tp -53.11 -54.2 39.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.524 ' CB ' ' CE2' ' A' ' 8' ' ' PHE . . . -60.52 -27.23 67.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.52 -54.37 17.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.616 1.198 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -61.2 -22.77 65.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.1 -59.26 2.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.1 t -170.5 -65.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 39' ' ' ASN . 21.0 t30 46.12 -159.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.7 m-85 58.58 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.066 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.2 m120 -108.86 140.21 42.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.8 p -91.38 51.42 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 0.0 110.412 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -123.1 17.6 9.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.93 93.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.538 HG22 ' CE2' ' A' ' 54' ' ' TYR . 3.1 p -145.76 116.24 7.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -150.58 101.25 2.93 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -87.9 160.94 17.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -159.18 103.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -72.4 -32.75 66.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.34 -34.95 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -137.16 34.71 2.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 tp60 36.37 40.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 45.1 p -122.78 151.71 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.565 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.2 m -143.82 130.83 20.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.439 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -100.9 97.28 7.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.565 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 3.2 m-85 -125.39 160.18 30.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' GLN . . . 96.41 143.89 15.8 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.53 1.143 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 37' ' ' ASN . 11.9 tt -51.05 -29.75 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.409 ' CZ ' ' HZ ' ' A' ' 8' ' ' PHE . 26.7 m-85 -89.71 20.32 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 37.46 64.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 mt -91.16 137.0 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.0 OUTLIER -81.67 137.45 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 52' ' ' THR . 1.5 m -91.26 4.34 52.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.489 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.61 -4.28 58.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.34 -54.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.498 ' CD1' HG22 ' A' ' 99' ' ' VAL . 11.7 m-90 -105.18 134.79 47.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 107.958 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.475 ' CB ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 63.15 133.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 108.337 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.653 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -161.22 -171.03 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.653 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 6.2 t70 94.83 -10.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.5 -2.42 34.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -150.99 -68.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 t -149.99 137.26 11.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 58.53 4.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 73' ' ' ALA . 9.4 ttt85 -110.49 -39.61 4.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -52.63 -174.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.24 73.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -55.33 100.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.69 -20.29 56.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.375 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.484 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 2.4 t -91.63 -29.71 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.441 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.8 53.09 32.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.1 OUTLIER -150.58 164.83 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.474 0.75 . . . . 0.0 109.307 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.39 127.9 34.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 65' ' ' CYS . 77.5 m -51.98 -31.05 27.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 108.313 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 p -53.02 -36.5 60.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.43 -28.78 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.37 10.61 40.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -115.82 26.88 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -118.06 -167.29 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -78.53 -64.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -53.46 116.33 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ALA . 37.5 pt -81.76 2.57 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -43.15 -35.66 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.21 -42.0 60.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -60.05 -40.67 90.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.423 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 7.9 mt -72.54 -50.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 1.4 tm0? -56.28 -45.12 80.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.8 t -70.0 -42.83 72.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 108.253 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.75 -46.05 67.31 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -71.2 -44.91 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -62.23 -22.69 66.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.498 HG22 ' CD1' ' A' ' 64' ' ' TRP . 39.9 t -85.65 -56.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -31.23 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -25.8 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.492 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.1 177.49 1.72 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.05 0.37 9.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -66.14 -61.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.458 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 76.16 160.06 9.48 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.581 1.176 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.64 ' CG2' ' CE3' ' A' ' 112' ' ' TRP . 1.4 mm -39.64 -29.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 0.722 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -41.74 -38.37 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.221 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.4 -37.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.558 ' CD1' HD12 ' A' ' 31' ' ' LEU . 32.4 m-90 -92.12 56.19 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.047 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 109' ' ' TRP . 5.4 p -34.66 -36.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -42.04 -56.74 2.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.64 ' CE3' ' CG2' ' A' ' 106' ' ' ILE . 0.9 OUTLIER -51.01 -58.32 6.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -50.03 -18.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 112' ' ' TRP . . . -129.12 34.75 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 3.7 t-80 -151.04 -54.59 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.651 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.593 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -87.37 -48.62 7.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 108.338 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -69.47 57.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' CYS . 5.7 t-20 -147.73 -54.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.09 -170.4 2.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -95.36 100.3 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.541 HD13 ' CD1' ' A' ' 124' ' ' TYR . 6.6 tp -101.24 21.05 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.6 m -73.11 -28.25 62.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.62 -10.96 56.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.541 ' CE2' ' HD2' ' A' ' 5' ' ' ARG . 1.1 t80 -76.86 -27.1 54.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 26' ' ' ALA . 1.4 pp -112.89 -33.06 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -76.33 119.28 20.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 4.2 t-20 80.23 26.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -83.99 -28.1 27.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 114.23 35.15 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 13.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.55 ' CE2' HG22 ' A' ' 89' ' ' ILE . 47.1 m-85 -137.61 130.7 30.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 5' ' ' ARG . 15.9 pt-20 -121.23 175.65 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.267 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -32.74 -61.26 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -51.29 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.248 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -33.63 -66.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -39.03 -50.58 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.79 -56.14 24.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -48.05 -57.22 6.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 15' ' ' ASN . 8.1 m -53.37 -52.29 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.461 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.46 -53.88 12.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -66.17 -27.74 68.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -76.5 -25.37 54.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -89.15 -42.27 11.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.5 43.01 2.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.43 ' CE ' ' CZ2' ' A' ' 28' ' ' TRP . 1.4 tmm? -111.62 -31.31 7.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 0.753 . . . . 0.0 111.061 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -67.28 150.73 48.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 85.05 12.4 74.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' GLY . 1.8 t80 -46.33 176.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.09 -56.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -119.31 -66.28 0.29 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 28' ' ' TRP . 6.1 p -45.53 110.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.6 m -91.22 164.8 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.073 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 31.6 tp -49.48 -43.94 45.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.62 98.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.41 ' HA ' ' SG ' ' A' ' 116' ' ' CYS . 49.1 m-20 -62.4 -40.24 95.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.582 ' CD1' HG22 ' A' ' 23' ' ' VAL . 73.8 m95 -64.98 -61.17 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 33' ' ' GLN . 85.2 t -50.27 -58.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.471 ' CB ' HD22 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -51.94 -42.68 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 108.329 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 106' ' ' ILE . 9.8 tp -59.62 -59.52 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.563 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . . . -59.37 -22.49 61.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.529 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.4 OUTLIER -71.83 -55.87 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.58 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.1 t-80 -60.89 -24.64 66.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.569 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.5 mm-40 -72.56 -63.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.68 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 1.3 m 155.05 69.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.937 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.784 ' O ' ' HB3' ' A' ' 38' ' ' TYR . 3.2 p-10 -61.74 136.28 57.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.784 ' HB3' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER 154.7 -124.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.568 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -92.63 139.56 30.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.4 p -70.74 53.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -100.68 0.46 39.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 55' ' ' GLY . . . -53.53 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.551 HG21 ' CD2' ' A' ' 54' ' ' TYR . 2.3 p -142.39 119.91 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -150.16 97.28 2.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.468 ' HA ' ' CG2' ' A' ' 52' ' ' THR . 50.1 p90 -87.99 160.46 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' SER . 78.5 m-20 -162.05 105.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -34.95 63.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -39.77 -40.04 1.48 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -119.97 31.17 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' ASP . 16.1 pt20 31.87 47.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.498 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 54.1 m -142.25 154.3 44.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.696 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 6.2 m -142.07 132.02 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.46 96.35 7.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.696 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 3.9 m-85 -125.33 159.33 32.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 42' ' ' ALA . . . 103.69 151.56 22.4 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 tt -54.27 -38.11 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.496 ' CZ ' ' CZ ' ' A' ' 8' ' ' PHE . 19.1 m-85 -89.21 23.65 2.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 38.8 67.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.7 mt -93.01 138.76 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.6 128.0 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.409 ' OG ' ' SG ' ' A' ' 65' ' ' CYS . 10.4 m -88.05 15.19 7.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 110.016 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.498 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.24 -11.28 44.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.6 t80 -139.76 -47.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.592 1.183 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' A' ' 65' ' ' CYS . 8.3 m-90 -93.75 143.95 25.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 108.01 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 58.17 160.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 1.4 m-20 -146.36 -172.27 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -138.07 -55.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.05 -3.11 14.41 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.73 -19.98 22.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.753 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 70' ' ' THR . 1.4 t -124.82 94.76 43.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 57.94 4.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.18 -45.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.83 176.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 63' ' ' TYR . 2.6 p -142.86 64.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 9.2 p-10 -40.3 99.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' TYR . . . -75.49 -20.76 58.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.27 -26.11 21.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.28 45.44 96.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.17 153.56 26.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 83' ' ' ALA . 11.0 p-10 -69.16 119.02 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 33.2 m -46.83 -28.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.317 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -37.41 71.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 80' ' ' ASN . . . -57.85 -20.98 40.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 mt -94.15 6.53 48.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.402 HD11 ' CG2' ' A' ' 43' ' ' THR . 0.1 OUTLIER -136.74 34.75 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -113.22 -157.32 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 110.376 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -59.11 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -71.88 118.52 14.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.55 HG22 ' CE2' ' A' ' 3' ' ' TYR . 15.4 pt -81.1 1.79 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.4 t -40.96 -36.84 0.71 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.575 1.172 . . . . 0.0 110.448 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.59 -43.77 53.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -60.02 -37.86 80.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.424 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 10.6 mt -73.76 -52.15 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 1.5 tt0 -57.29 -45.9 83.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.9 t -68.64 -45.43 71.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 108.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -49.36 -51.33 35.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 7.9 pttt -69.86 -40.49 75.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.505 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 18.6 ttt180 -62.83 -22.34 66.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 24.1 t -88.81 -57.63 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.72 -24.76 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 101' ' ' ARG . 5.0 mtp-105 -60.53 -13.15 12.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -61.25 169.77 2.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 49.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.31 -86.6 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 107' ' ' ARG . . . 127.11 168.05 12.45 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.47 ' CD1' HD21 ' A' ' 31' ' ' LEU . 2.4 mm -39.91 -29.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 106' ' ' ILE . 3.9 tmt_? -33.77 -36.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 106' ' ' ILE . . . -40.24 -37.09 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.492 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 24.1 m-90 -96.14 65.58 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.026 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 113' ' ' ARG . 73.7 t -40.1 -30.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -45.27 -49.52 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.486 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -57.49 -39.0 75.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 108.051 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.486 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 32.2 ttt-85 -61.7 -15.31 39.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.85 31.49 5.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.52 -46.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.78 -53.39 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -71.24 56.98 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -146.84 -60.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 -169.91 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -93.17 101.32 13.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -96.3 15.19 21.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.21 -24.88 61.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -69.65 -13.21 62.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.529 ' CE2' ' HG3' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -77.55 -30.82 52.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.2 pt -89.7 -41.19 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -72.62 101.26 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.0 OUTLIER 160.67 -25.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.381 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -25.81 62.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.62 30.82 3.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.368 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 52.0 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.85 ' CE1' ' CG ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -151.73 139.5 19.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 5' ' ' ARG . 12.4 pt-20 -111.66 160.78 16.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -35.26 -59.15 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 7' ' ' GLU . 79.7 m -50.35 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.6 mm-40 -30.67 -66.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.359 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.85 ' CG ' ' CE1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -44.36 -53.68 6.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.69 51.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -54.46 -59.15 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 15' ' ' ASN . 20.1 m -52.04 -55.22 22.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.098 . . . . 0.0 110.362 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -54.08 10.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -64.51 -27.47 68.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -78.47 -22.42 47.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 11' ' ' THR . 7.7 t30 -88.95 -40.39 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.54 38.76 1.06 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.573 ' HE2' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -120.17 -35.49 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' CB ' HD12 ' A' ' 25' ' ' LEU . . . -52.1 102.24 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 90.29 34.98 7.72 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.573 ' CD1' ' HE2' ' A' ' 17' ' ' MET . 25.9 t80 -47.49 177.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.35 -59.33 0.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.401 1.063 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.44 -63.72 0.49 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.646 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 12.6 t -45.58 125.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 t -90.25 144.09 26.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.165 . . . . 0.0 110.014 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 18' ' ' ALA . 15.9 tp -45.85 -44.53 14.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.33 89.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 61.2 m-20 -64.7 -37.78 88.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.646 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 25.3 m95 -63.94 -60.31 3.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' GLN . 17.3 t -52.4 -60.33 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.487 ' CB ' HD12 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -48.98 -45.46 42.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.338 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 106' ' ' ILE . 18.5 tp -58.13 -66.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.499 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -51.34 -27.5 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -68.74 -52.77 27.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.423 ' CD2' ' CG ' ' A' ' 115' ' ' HIS . 0.6 OUTLIER -73.11 -20.21 60.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.59 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' A' ' 109' ' ' TRP . 4.2 mm-40 -73.59 -61.91 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.75 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.598 ' OD1' ' CE1' ' A' ' 3' ' ' TYR . 14.4 t-20 71.63 170.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 3' ' ' TYR . 55.3 m-85 60.57 -115.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -87.18 131.5 34.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.445 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 17.8 p -82.77 60.77 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' THR . 2.3 ttt-85 -92.29 -5.23 52.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.42 93.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.478 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 11.6 p -139.84 135.75 33.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.13 99.02 2.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -88.94 149.32 23.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 51' ' ' SER . 79.0 m-20 -161.39 100.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -77.72 -30.34 51.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 110.388 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.94 -33.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.3 t0 -135.49 33.39 3.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 0.757 . . . . 0.0 109.377 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER 35.53 51.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.529 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 50.0 p -138.54 147.82 43.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 60' ' ' ASN . 1.2 m -139.82 133.22 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.88 101.59 10.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.669 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -153.55 166.01 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 110.987 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.59 159.18 10.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.564 1.165 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.571 HG22 ' CD2' ' A' ' 57' ' ' PHE . 10.7 tp -51.97 -35.79 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.571 ' CD2' HG22 ' A' ' 56' ' ' ILE . 63.1 m-85 -109.69 26.35 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 42.09 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.1 mt -118.44 152.05 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.7 OUTLIER -88.52 133.58 34.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t -90.54 6.17 44.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.954 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.529 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 36.9 ttt-85 -88.82 -14.85 36.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.45 -39.52 1.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.689 ' CZ3' ' CB ' ' A' ' 76' ' ' ALA . 88.6 m95 -106.5 158.68 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 58.8 158.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 108.282 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.486 ' HB2' ' CB ' ' A' ' 75' ' ' ASN . 2.3 t-20 -135.92 -170.99 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 27.5 t0 -132.16 -46.39 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.11 -2.54 55.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -120.69 -1.03 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.583 0.813 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -128.2 90.16 47.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.423 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.72 4.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.778 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.62 -59.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.81 161.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.1 62.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.486 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 5.3 p-10 -49.06 101.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.689 ' CB ' ' CZ3' ' A' ' 64' ' ' TRP . . . -86.69 -10.6 53.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.0 t -89.31 -38.48 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.01 57.69 7.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.449 HG12 ' N ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -147.75 165.26 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.578 0.811 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.449 ' N ' HG12 ' A' ' 79' ' ' ILE . 11.4 m-80 -74.3 121.04 20.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.458 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 8.3 m -49.83 -37.89 32.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 108.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -54.59 -22.68 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.06 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.3 -14.74 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.669 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 20.8 mt -101.27 12.51 37.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.62 13.24 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -96.88 -170.53 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -84.25 -72.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -47.37 133.23 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 92' ' ' ALA . 16.0 pt -92.58 0.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.3 t -45.24 -40.77 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.56 -37.71 77.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.454 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -63.58 -39.32 94.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.472 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 32.6 mt -70.75 -51.72 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -54.69 -49.49 70.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.5 OUTLIER -67.39 -40.95 85.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -51.26 -50.03 60.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 94' ' ' GLN . 2.8 pttt -69.04 -45.66 69.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 7.5 ttt85 -60.3 -22.67 63.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 7.8 t -85.66 -56.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.4 t -58.1 -25.18 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -20.31 22.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -71.9 177.17 1.8 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.4 Cg_endo -75.0 0.43 8.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.25 -61.5 1.89 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 106' ' ' ILE . . . 80.38 152.57 8.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 31' ' ' LEU . 1.3 mm -40.07 -34.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.54 -37.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.07 -36.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.408 ' C ' ' N ' ' A' ' 111' ' ' ALA . 21.6 m-90 -95.47 62.69 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 113' ' ' ARG . 36.4 t -41.63 -28.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -46.86 -50.31 18.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -36.28 69.47 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -68.16 -14.63 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.02 31.02 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.423 ' CG ' ' CD2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -149.83 -44.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 109.615 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -54.87 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 108.353 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -17.76 7.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -57.61 -67.25 0.35 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -136.98 -158.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -91.34 105.62 17.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.487 HD12 ' CB ' ' A' ' 30' ' ' CYS . 1.2 tm? -97.46 17.07 18.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.7 t -75.59 -28.69 59.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -63.02 -12.51 26.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.44 ' CB ' HD11 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -76.28 -30.0 57.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 128' ' ' CYS . 7.7 pt -95.16 -35.22 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 7.5 tpm_? -74.2 122.07 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 8.0 t-20 78.86 24.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -88.07 -28.6 21.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.311 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 109.35 36.11 2.17 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.552 1.157 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.325 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 68.1 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.618 ' CE2' HG22 ' A' ' 89' ' ' ILE . 7.2 m-30 -105.62 100.61 10.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.409 ' HG2' ' HB2' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -94.15 152.59 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.415 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 11.3 ptt-85 -46.11 -58.82 3.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -46.57 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -33.09 -65.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.636 ' CE1' ' CD1' ' A' ' 12' ' ' LEU . 32.5 t80 -45.66 -52.5 10.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.67 -52.44 63.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -51.2 -64.39 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.536 ' O ' ' N ' ' A' ' 15' ' ' ASN . 18.1 m -46.11 -52.94 11.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.636 ' CD1' ' CE1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -48.31 -60.31 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.45 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -59.37 -24.86 63.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -84.12 -19.95 33.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 11' ' ' THR . 3.7 t-20 -88.92 -41.99 12.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.81 33.05 1.61 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.484 ' HE2' ' CE1' ' A' ' 20' ' ' TYR . 11.0 mmt -116.59 -36.19 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.544 ' CB ' ' CD2' ' A' ' 25' ' ' LEU . . . -52.16 111.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.44 34.37 14.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.484 ' CE1' ' HE2' ' A' ' 17' ' ' MET . 2.4 t80 -53.73 -172.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 0.813 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -36.23 -31.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -155.11 -62.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.487 ' CG1' HG13 ' A' ' 106' ' ' ILE . 6.2 m -51.87 107.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.205 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.1 m -90.87 170.07 10.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 110.045 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.544 ' CD2' ' CB ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -50.26 -29.73 10.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.32 -52.51 61.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.641 ' HA ' ' CZ3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -64.74 -34.78 79.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.562 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 91.6 m95 -68.46 -60.82 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.002 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.1 t -55.16 -55.45 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 33' ' ' GLN . 18.0 t -50.01 -55.7 13.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 108.324 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.591 ' CD1' ' CE3' ' A' ' 109' ' ' TRP . 2.8 tt -48.43 -46.86 38.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.62 -29.53 70.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.403 ' HA ' ' HB2' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -68.13 -52.15 37.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.242 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.549 ' CD2' ' HB3' ' A' ' 111' ' ' ALA . 1.1 t-80 -59.23 -25.81 64.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.5 -60.49 2.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' ASN . 25.2 t -175.69 -50.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 39' ' ' ASN . 6.9 t30 47.87 -173.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' TYR . 3.0 m-85 62.38 -59.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.4 m120 -122.95 142.95 50.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.602 HG21 ' CE1' ' A' ' 3' ' ' TYR . 1.2 p -101.95 16.15 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.3 tpm_? -60.59 -14.91 22.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.02 96.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ARG . 12.0 p -141.41 133.58 27.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -150.47 97.03 2.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -89.45 158.18 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -161.82 104.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.3 OUTLIER -75.11 -30.8 60.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.25 -36.79 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.409 1.068 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -141.51 32.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ASP . 20.4 tp60 35.58 61.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.524 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 76.9 p -141.11 111.98 7.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 61' ' ' SER . 88.2 m -108.98 129.75 55.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -113.21 113.09 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -152.66 169.31 23.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.56 152.36 10.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.511 HD12 ' CB ' ' A' ' 3' ' ' TYR . 13.1 tt -54.29 -33.06 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.4 ' CE1' ' CZ ' ' A' ' 8' ' ' PHE . 4.1 m-85 -95.99 10.18 38.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 47.03 84.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 52.5 mt -113.87 147.82 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.183 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' OD1' ' CG ' ' A' ' 53' ' ' ASP . 1.4 m120 -91.43 139.15 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 52' ' ' THR . 3.0 t -92.3 2.64 56.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.524 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -87.51 -15.3 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -122.13 -32.94 3.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.517 ' CD1' HG22 ' A' ' 99' ' ' VAL . 32.6 m-90 -120.05 167.19 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.441 ' SG ' ' OH ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 59.46 156.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 75' ' ' ASN . 1.8 t-20 -143.34 -164.21 1.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 16.8 t0 -144.59 -54.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.5 -0.2 26.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.439 1.087 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -115.85 -6.19 12.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -124.42 95.13 43.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 57.1 4.5 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.17 -65.66 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.34 134.86 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.368 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 76' ' ' ALA . 11.9 p -98.27 62.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.462 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 14.3 p-10 -48.56 94.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.68 -10.84 59.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.0 t -89.82 -40.04 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 108.259 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 69.3 58.87 6.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -149.87 170.46 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 0.794 . . . . 0.0 109.285 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -75.88 123.01 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.14 -37.56 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 108.391 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -26.63 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -17.42 41.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 1.1 mp -99.13 15.94 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 tp -137.36 21.64 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -104.64 -167.15 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.81 -75.25 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.14 122.93 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.618 HG22 ' CE2' ' A' ' 3' ' ' TYR . 5.7 pt -79.08 -2.72 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.6 t -44.61 -36.06 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.48 -38.73 65.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -63.32 -38.43 91.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.447 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 12.4 mt -73.35 -51.56 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 41.9 tt0 -52.51 -46.72 66.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.75 -48.18 55.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.3 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -48.23 -43.92 32.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 15.6 ptpt -75.31 -41.22 57.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.509 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -61.97 -23.99 66.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 64' ' ' TRP . 41.1 t -90.13 -57.39 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.0 t -56.17 -26.05 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -19.73 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.497 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -74.27 177.55 2.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -74.92 1.82 7.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.57 -64.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.16 158.98 30.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.569 HD12 ' CE3' ' A' ' 109' ' ' TRP . 1.0 OUTLIER -47.5 -24.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 2.8 ttp180 -42.22 -33.59 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.03 -32.7 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.591 ' CE3' ' CD1' ' A' ' 31' ' ' LEU . 13.9 m-90 -96.55 47.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 113' ' ' ARG . 24.9 t -40.11 -28.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.118 . . . . 0.0 109.384 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.549 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . . . -41.49 -51.22 3.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.674 ' CE3' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.93 -42.96 85.93 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -68.15 -8.53 39.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.89 33.22 4.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.5 OUTLIER -153.25 -51.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.677 ' O ' ' N ' ' A' ' 118' ' ' ASN . 0.2 OUTLIER -88.92 -47.18 8.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.26 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.27 61.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.677 ' N ' ' O ' ' A' ' 116' ' ' CYS . 2.6 t-20 -155.45 -44.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 -169.58 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.49 101.33 12.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.514 ' CD2' ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -98.17 18.36 16.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 m -72.93 -18.11 61.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -76.79 -10.25 59.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -30.04 59.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 25' ' ' LEU . 8.9 pt -98.77 -43.07 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.419 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -61.15 104.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.8 OUTLIER 162.42 -27.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -25.08 61.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.89 31.37 2.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.566 0.803 . . . . 0.0 109.375 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.583 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 9.2 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 38.9 m-85 -160.22 116.25 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 5' ' ' ARG . 2.3 pm0 -96.52 170.24 9.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -34.8 -58.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 7' ' ' GLU . 71.8 m -51.87 -78.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 6' ' ' CYS . 4.1 mt-10 -32.39 -65.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.596 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -41.84 -54.96 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 111.069 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.5 -53.59 49.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.409 ' N ' HG23 ' A' ' 130' ' ' VAL . 16.2 ttp180 -51.52 -57.47 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.5 m -54.42 -53.2 57.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.426 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.435 HD23 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -47.01 -52.07 15.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -66.52 -29.99 70.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -74.09 -25.05 59.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.4 -39.39 13.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.17 45.59 0.74 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.477 ' HE3' ' CG2' ' A' ' 93' ' ' ILE . 4.8 tpp -125.1 -39.18 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.27 109.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.65 34.69 27.47 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.061 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' TYR . 7.3 t80 -50.38 -176.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -34.53 -49.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.18 -61.8 0.14 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.585 HG11 ' CD1' ' A' ' 28' ' ' TRP . 46.4 t -41.11 127.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.597 0.822 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.21 154.06 20.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.79 -45.75 91.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -56.35 -45.17 80.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 46.1 m-20 -68.33 -33.58 74.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.585 ' CD1' HG11 ' A' ' 23' ' ' VAL . 2.5 m95 -60.87 -55.04 37.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 107.959 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.5 t -60.14 -53.37 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 121' ' ' LEU . 0.5 OUTLIER -53.12 -47.96 68.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' CD1' ' CD1' ' A' ' 106' ' ' ILE . 5.8 tt -53.94 -52.32 60.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.425 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -63.98 -26.2 68.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.04 -53.59 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -62.09 -28.01 69.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -74.07 -56.27 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.07 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.94 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 8' ' ' PHE . 2.2 t30 53.89 -164.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.43 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.5 ' N ' ' O ' ' A' ' 3' ' ' TYR . 22.8 m-85 56.77 -113.76 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -88.43 137.63 32.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.9 p -84.83 54.63 3.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.37 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -98.62 -44.59 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.219 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.506 ' CB ' ' HA3' ' A' ' 55' ' ' GLY . . . -39.54 102.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -133.73 139.34 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.412 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ASP . 1.6 t-20 -128.76 88.64 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.4 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 1.0 OUTLIER -94.02 159.42 15.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -161.68 104.34 1.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -77.72 -32.91 53.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -44.06 -46.73 8.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -115.27 24.81 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.336 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' ASP . 1.5 tp-100 36.42 61.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.486 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 72.8 m -148.32 147.3 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.431 ' CG2' ' N ' ' A' ' 53' ' ' ASP . 1.7 m -136.56 166.75 22.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -142.63 126.11 16.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.622 ' O ' ' N ' ' A' ' 58' ' ' GLN . 64.0 m-85 -88.07 116.48 26.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.577 ' O ' ' N ' ' A' ' 57' ' ' PHE . . . -60.32 -49.49 78.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.568 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.8 tp -26.99 -41.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -148.09 29.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.622 ' N ' ' O ' ' A' ' 54' ' ' TYR . 6.3 tp-100 37.25 53.06 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' TYR . 37.8 mt -101.37 134.37 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -77.26 128.98 35.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.514 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -90.84 4.3 52.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 110.048 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.23 -27.08 22.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -112.06 -31.84 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 29.1 m-90 -109.87 152.99 25.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.474 ' CB ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.79 143.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.291 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.471 ' CG ' ' N ' ' A' ' 67' ' ' ASP . 11.8 t30 -80.28 -95.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 9.9 t0 173.45 -46.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.96 2.49 80.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -137.8 -46.73 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.753 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -106.47 103.49 46.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 55.29 3.96 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -54.48 2.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.62 138.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.3 p -90.69 62.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.443 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 27.2 p-10 -38.96 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -90.08 -15.09 32.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.148 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 8.5 t -89.98 -26.0 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.445 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 68.56 55.86 11.07 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.474 1.109 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -150.86 163.09 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 0.772 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 7.0 m-80 -76.59 126.64 31.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.418 ' SG ' ' C ' ' A' ' 66' ' ' ASN . 18.9 m -50.85 -44.2 59.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 108.266 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 0.6 OUTLIER -54.04 -26.53 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.064 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 80' ' ' ASN . . . -62.38 -15.42 48.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.457 ' CD1' ' CE2' ' A' ' 54' ' ' TYR . 1.3 mt -105.34 14.84 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tp -137.32 28.56 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 82' ' ' SER . 6.9 mt-30 -109.84 -155.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.0 -73.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -51.65 142.13 15.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ALA . 6.0 pt -98.38 5.21 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 91' ' ' ALA . 10.1 t -42.92 -36.13 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 90' ' ' THR . . . -72.11 -42.6 65.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -60.23 -40.55 90.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.477 ' CG2' ' HE3' ' A' ' 17' ' ' MET . 8.5 mt -70.49 -50.08 48.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 10.4 tt0 -55.73 -46.05 77.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -69.02 -40.47 78.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 108.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.23 -47.46 72.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 16.4 pttt -70.39 -44.06 68.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.444 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 4.0 tpt180 -63.55 -23.11 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.347 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.508 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 52.6 t -84.13 -58.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -29.59 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -54.41 -24.16 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -72.05 178.32 1.38 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.0 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.584 1.834 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.41 ' O ' ' NH1' ' A' ' 107' ' ' ARG . 9.0 mm-40 -68.78 -61.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.453 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 79.73 162.63 25.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.607 HG21 ' CZ3' ' A' ' 112' ' ' TRP . 1.3 mm -40.92 -28.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.453 ' N ' ' C ' ' A' ' 105' ' ' GLY . 6.8 ttp-105 -40.48 -38.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.66 -38.51 2.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 110' ' ' VAL . 30.7 m-90 -93.31 50.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.014 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 109' ' ' TRP . 11.7 p -34.53 -36.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -42.27 -57.1 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.644 ' C ' ' CD1' ' A' ' 112' ' ' TRP . 0.7 OUTLIER -52.62 -56.97 11.61 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -46.08 -20.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 112' ' ' TRP . . . -130.77 37.08 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 11.5 t60 -151.65 -51.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.613 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.638 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.02 -50.08 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 108.285 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -68.58 58.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 116' ' ' CYS . 9.4 t-20 -145.25 -52.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -129.35 -171.7 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.203 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.97 100.52 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.482 ' CD2' ' HB2' ' A' ' 30' ' ' CYS . 1.4 tp -103.75 22.25 14.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.01 -24.54 60.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.059 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.79 -11.86 59.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -75.68 -31.4 59.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.438 ' CG2' ' HA ' ' A' ' 26' ' ' ALA . 1.9 pt -100.73 -30.63 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -77.7 125.57 29.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.369 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 5.1 t-20 75.87 24.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -83.05 -34.31 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 108.235 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.71 35.43 1.27 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 10' ' ' ARG . 7.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 3' ' ' TYR . 41.3 t -124.94 145.61 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.517 ' CZ ' HG21 ' A' ' 89' ' ' ILE . 14.6 m-85 -140.84 131.66 25.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' ARG . 9.2 pt-20 -118.03 165.98 13.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -36.03 -66.32 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -48.09 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.319 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -33.73 -67.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.68 ' CE2' ' CB ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -41.6 -50.91 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.03 -55.23 35.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -51.0 -57.93 7.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.3 m -51.27 -55.66 17.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.48 HD23 ' CD1' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -46.72 -54.16 10.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -64.93 -26.24 68.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.0 tpt85 -78.89 -23.37 44.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.4 t-20 -89.42 -40.43 12.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.83 41.34 1.45 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.75 -38.49 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -52.04 109.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 102.15 21.71 10.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' TYR . 4.4 t80 -43.31 168.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -34.95 -48.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.61 -56.71 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 28' ' ' TRP . 5.5 t -53.34 116.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -90.41 145.06 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.043 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 12.1 tp -43.19 -47.93 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.69 85.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 48.2 m-20 -64.21 -37.45 87.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.569 ' CD1' HG13 ' A' ' 23' ' ' VAL . 24.6 m95 -63.69 -57.15 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 107.983 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.03 -62.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.98 -47.13 21.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.57 HD11 ' CE3' ' A' ' 109' ' ' TRP . 5.4 tt -59.83 -67.52 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.098 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.68 ' CB ' ' CE2' ' A' ' 8' ' ' PHE . . . -43.73 -29.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -72.18 -52.91 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 111' ' ' ALA . 5.1 t-80 -61.12 -22.23 64.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.536 ' OE1' ' CD1' ' A' ' 109' ' ' TRP . 15.0 mm-40 -74.68 -65.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 158.29 62.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.553 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 8.1 t-20 -58.7 -150.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 25.0 m-85 72.66 -125.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.063 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -84.74 142.32 29.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 p -70.03 58.55 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -113.79 4.65 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.412 ' HB2' ' C ' ' A' ' 55' ' ' GLY . . . -57.16 91.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.575 HG22 ' CE2' ' A' ' 54' ' ' TYR . 1.9 p -142.38 122.28 13.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.39 99.56 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.469 ' HA ' ' CG2' ' A' ' 52' ' ' THR . 1.1 p90 -89.36 159.5 17.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 51' ' ' SER . 29.1 m120 -162.77 104.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' GLY . 5.2 ttt85 -75.58 -32.9 60.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -37.59 -41.33 0.82 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -122.93 30.93 6.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ASP . 1.9 tt0 35.14 47.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 79.8 p -138.51 149.54 45.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.683 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 7.6 m -141.57 131.83 24.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -101.02 98.91 9.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.683 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 4.5 m-85 -127.02 157.65 39.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' GLN . . . 101.8 143.61 13.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.408 ' CG1' ' HA ' ' A' ' 37' ' ' ASN . 13.8 tt -50.61 -32.82 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.442 ' CZ ' ' CZ ' ' A' ' 8' ' ' PHE . 14.6 m-85 -89.94 22.46 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 37.51 69.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.8 mt -96.14 134.53 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.242 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -80.31 132.72 35.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -89.84 10.85 22.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -88.08 -2.29 58.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -151.98 -44.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.577 ' CD1' HG22 ' A' ' 99' ' ' VAL . 5.2 m-90 -96.29 156.33 16.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 64' ' ' TRP . 1.4 p 52.42 176.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.54 -169.3 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -150.37 -51.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.14 -0.77 22.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -14.73 26.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -125.8 94.99 40.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 58.98 5.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.96 -45.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.83 159.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 75' ' ' ASN . 6.3 p -122.08 54.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' VAL . 17.9 p-10 -39.32 100.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -79.99 -18.05 51.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 1.8 t -89.49 -32.79 17.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.438 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.51 53.66 30.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.438 ' CG2' ' C ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -150.92 163.23 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -75.23 124.03 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 52.3 m -50.21 -32.66 17.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.6 t -58.17 -32.38 68.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.17 -18.25 24.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mt -99.98 11.2 39.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.427 ' CD1' ' CG2' ' A' ' 43' ' ' THR . 0.0 OUTLIER -124.59 20.68 8.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -90.74 -162.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.36 -51.13 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -76.98 132.49 39.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.517 HG21 ' CZ ' ' A' ' 3' ' ' TYR . 9.1 pt -85.1 2.73 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.66 -37.44 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.18 63.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.486 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -62.29 -40.09 95.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.28 -50.88 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.466 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -56.46 -47.3 79.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.8 t -68.61 -45.22 72.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -49.09 -48.81 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -70.59 -42.49 70.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.505 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 7.7 tpt180 -61.64 -22.35 65.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 64' ' ' TRP . 51.7 t -88.25 -57.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.7 t -56.89 -26.97 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -53.4 -19.22 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.473 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -79.29 176.69 3.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.4 Cg_endo -74.96 1.53 7.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.534 1.807 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -69.79 -63.86 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.25 163.33 28.15 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 31' ' ' LEU . 3.9 mm -39.68 -31.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 0.735 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 105' ' ' GLY . 9.7 tpt180 -38.46 -38.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.0 -36.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.57 ' CE3' HD11 ' A' ' 31' ' ' LEU . 24.4 m-90 -94.16 60.26 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 107.964 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 113' ' ' ARG . 15.0 p -42.64 -27.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.567 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -48.09 -49.72 30.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.493 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.12 -30.36 64.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 107.968 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.491 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -69.43 -15.26 63.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.79 31.13 5.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.143 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.73 -44.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -88.72 -55.68 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 55.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -141.57 -57.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.64 -170.19 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -85.7 101.55 12.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.478 HD13 ' CB ' ' A' ' 124' ' ' TYR . 1.2 tm? -90.1 9.71 27.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 m -75.74 -25.41 56.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.963 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.4 -15.85 63.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.478 ' CB ' HD13 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -79.92 -38.06 33.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.3 pt -90.34 -32.72 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 2.0 ttm180 -70.02 99.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.4 m-20 161.27 -26.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -24.57 60.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 105.59 31.39 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.498 ' HB3' ' CG2' ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 38' ' ' TYR . 60.4 t -106.19 145.72 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 89' ' ' ILE . 2.4 m-85 -156.07 117.53 3.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -106.97 171.63 7.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -43.77 -55.05 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 7' ' ' GLU . 1.1 m -55.38 -76.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 108.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 6' ' ' CYS . 6.6 mm-40 -36.09 -65.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.486 ' CZ ' ' HB1' ' A' ' 32' ' ' ALA . 45.7 t80 -45.66 -48.85 14.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.27 59.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -53.35 -56.03 20.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' ASN . 7.3 m -52.4 -55.03 24.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -49.02 -50.48 35.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -65.11 -28.96 69.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -78.57 -24.32 45.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -89.52 -40.05 12.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.82 46.52 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.35 -39.37 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.14 110.54 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.05 28.02 35.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' TYR . 53.8 t80 -48.6 177.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' TYR . 1.4 m-85 -35.37 -54.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.37 -61.42 0.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.611 1.195 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.597 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 11.6 t -47.73 119.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -88.76 146.1 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 tp -42.8 -49.39 5.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.52 85.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' SER . 19.0 m-20 -63.51 -36.49 83.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.597 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 24.5 m95 -65.69 -57.46 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.011 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 125' ' ' ILE . 41.3 t -55.55 -58.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.494 ' CB ' HD11 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -48.53 -47.13 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 108.347 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 57' ' ' PHE . 1.6 tm? -58.2 -56.35 23.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' A' ' 8' ' ' PHE . . . -58.74 -23.0 59.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tt0 -75.29 -53.95 7.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 111' ' ' ALA . 13.1 t-80 -57.96 -27.0 63.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.655 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.1 mm-40 -74.34 -61.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 159.39 60.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.622 ' OD1' ' CD2' ' A' ' 38' ' ' TYR . 38.0 p-10 -57.64 -158.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 23.6 m-85 67.19 -58.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' ASN . 16.0 t-20 -121.58 155.54 34.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.498 ' CG2' ' HB3' ' A' ' 1' ' ' LYS . 1.7 t -133.91 40.56 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -105.77 4.11 29.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.34 114.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -145.39 128.58 16.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.2 m-20 -147.41 97.14 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.424 ' OH ' ' CD1' ' A' ' 85' ' ' LEU . 23.0 m-85 -89.53 151.39 21.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' SER . 20.5 m120 -162.13 104.63 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.22 -32.55 29.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.45 -43.89 1.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' GLN . 25.0 t0 -121.18 31.06 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' ASP . 9.1 tp-100 34.09 56.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' ASN . 28.3 p -143.48 151.38 40.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 60' ' ' ASN . 1.5 m -145.97 156.24 43.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 0.0 110.456 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ASN . 71.6 m-20 -140.07 117.69 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 2.0 p90 -150.91 168.3 24.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.25 146.7 18.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.7 tt -52.49 -30.61 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 31' ' ' LEU . 5.3 m-85 -92.03 17.88 8.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER 37.83 74.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -100.38 140.4 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.458 ' ND2' ' CE3' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -90.01 137.0 32.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.411 ' CB ' ' SG ' ' A' ' 65' ' ' CYS . 1.1 t -92.28 11.46 25.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -33.18 19.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -115.26 -22.11 9.58 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.458 ' CE3' ' ND2' ' A' ' 60' ' ' ASN . 3.1 m-90 -114.05 167.88 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 107.975 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.462 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER 59.33 159.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 108.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -127.79 -178.42 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -157.04 -47.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.67 -0.77 89.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -97.63 -13.53 21.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 t -131.0 107.53 15.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 61.82 5.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.33 -53.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.312 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.03 156.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' ALA . 2.4 p -129.61 60.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' ASN . 23.6 p-10 -39.93 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -90.4 -14.03 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 7.8 t -89.56 -32.38 17.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.45 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 71.93 55.05 7.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -150.99 155.86 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.412 0.713 . . . . 0.0 109.267 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -72.3 127.18 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 70.3 m -48.16 -37.87 16.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.3 p -56.48 -34.24 66.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 80' ' ' ASN . . . -58.43 -24.28 59.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 1.1 mt -96.06 9.4 40.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.424 ' CD1' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -121.72 23.27 10.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.55 -165.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.36 -73.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.21 145.28 14.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 3' ' ' TYR . 5.8 pt -84.07 5.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -43.37 -36.47 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.77 62.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -62.52 -38.01 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 10.1 mt -74.38 -52.04 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 22.1 tt0 -55.54 -44.64 76.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' VAL . 4.0 t -70.37 -47.43 60.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -48.35 -45.44 35.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 20.1 pttt -73.28 -42.98 61.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.54 -22.57 66.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.245 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' CYS . 44.9 t -88.22 -57.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.36 -24.9 25.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -57.89 -16.7 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.501 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -81.46 177.75 2.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.1 Cg_endo -75.04 1.78 7.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -69.78 -62.27 1.45 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.65 160.0 22.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.57 1.169 . . . . 0.0 110.97 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.562 HD11 ' CZ3' ' A' ' 109' ' ' TRP . 2.8 mm -43.74 -27.12 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.434 ' N ' ' C ' ' A' ' 105' ' ' GLY . 17.1 ttm180 -38.31 -39.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.22 -37.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.387 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.562 ' CZ3' HD11 ' A' ' 106' ' ' ILE . 24.2 m-90 -94.34 62.34 2.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 107.959 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' ARG . 13.9 p -43.25 -27.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.566 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -47.63 -47.78 28.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -61.42 -33.32 73.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.493 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 3.1 tmm_? -64.45 -15.71 61.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -126.62 32.02 5.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.99 -45.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.615 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -88.95 -55.18 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.069 . . . . 0.0 108.292 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.402 ' OE1' ' CA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -72.65 56.14 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -147.75 -65.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -119.38 -171.27 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -91.49 97.93 11.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.494 HD11 ' CB ' ' A' ' 30' ' ' CYS . 1.4 tm? -92.22 13.02 20.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 -26.28 59.81 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -62.76 -15.35 53.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.412 ' CB ' HD13 ' A' ' 121' ' ' LEU . 1.0 OUTLIER -79.63 -37.86 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.464 ' CG2' HG22 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -90.95 -33.14 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 0.0 109.238 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.42 ' N ' HG13 ' A' ' 125' ' ' ILE . 13.0 tpt180 -77.7 104.37 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 162.55 -27.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -23.95 59.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 108.365 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 106.55 32.96 3.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.17 142.26 42.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -138.93 115.96 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -100.97 168.4 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.265 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -41.58 -54.85 3.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -53.21 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -36.75 -65.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.692 ' CE2' ' CB ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -45.19 -47.99 12.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.64 55.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.591 1.182 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -50.67 -56.55 11.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 15' ' ' ASN . 8.4 m -52.65 -56.61 14.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.0 -53.8 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -64.87 -27.49 68.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -76.33 -26.47 55.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.2 t30 -89.86 -42.24 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.94 55.65 0.47 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mmm -131.06 -40.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 0.724 . . . . 0.0 111.039 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.55 113.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.95 29.03 24.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.436 1.085 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' TYR . 9.3 t80 -48.43 178.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.398 0.705 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -35.63 -48.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.2 -61.36 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.651 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 12.2 t -43.99 120.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.534 0.785 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.54 150.7 21.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.431 HD13 ' CG2' ' A' ' 29' ' ' VAL . 10.0 tp -49.19 -43.74 42.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.84 87.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.592 ' OD1' ' CH2' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -67.8 -33.75 75.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.181 . . . . 0.0 109.327 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.651 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 16.9 m95 -67.99 -59.47 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 5' ' ' ARG . 43.2 t -55.21 -57.26 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.8 t -51.74 -45.74 63.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.423 1.077 . . . . 0.0 108.226 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.652 ' CD1' ' CG ' ' A' ' 109' ' ' TRP . 14.8 tp -52.05 -62.05 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.692 ' CB ' ' CE2' ' A' ' 8' ' ' PHE . . . -55.93 -29.18 59.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.15 -53.54 19.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.481 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 2.5 t-160 -64.59 -28.59 69.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.574 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' SER . 10.8 mm-40 -71.39 -59.45 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.639 1.212 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER 160.29 51.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.607 ' O ' ' N ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -61.07 -151.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.168 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER 61.24 -63.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 111.011 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.607 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.6 m120 -104.02 140.86 37.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 p -103.62 34.35 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -117.63 11.96 13.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.247 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.91 104.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.053 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.538 HG21 ' CE2' ' A' ' 54' ' ' TYR . 6.7 p -148.96 122.77 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.3 m-20 -150.18 98.35 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -88.75 159.76 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -163.56 106.07 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -74.99 -31.08 61.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.601 1.188 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -36.53 -37.88 0.24 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' GLN . 4.4 t0 -129.25 33.28 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 34.76 51.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.562 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 79.2 p -140.71 153.44 45.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.647 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 3.0 m -145.21 133.5 21.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 0.0 110.48 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' ASN . 23.5 m-20 -102.67 102.34 12.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.647 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 4.0 m-85 -127.5 158.83 36.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.88 146.8 21.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.2 tt -52.39 -32.15 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.444 ' CE1' ' HB1' ' A' ' 32' ' ' ALA . 18.4 m-85 -90.12 22.45 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 36.96 66.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.2 mt -89.38 133.69 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.43 124.94 28.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 9.4 t -82.48 7.12 15.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.4 OUTLIER -88.18 11.96 15.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.085 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.485 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.03 -37.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 111.038 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CD1' HG23 ' A' ' 99' ' ' VAL . 69.7 m95 -116.22 167.22 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.485 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER 59.1 154.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 108.307 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.482 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 8.2 p30 -106.43 -172.75 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 66' ' ' ASN . 11.1 t0 -162.32 -45.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.19 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.6 2.12 59.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.103 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 0.1 31.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -143.96 106.06 4.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 55.73 4.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' ALA . 2.0 ttt-85 -150.81 -44.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -49.87 179.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -149.63 95.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.482 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 30.2 p-10 -67.95 62.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.418 1.073 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . . . -60.13 -16.08 29.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 2.8 t -89.24 -32.71 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.453 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.44 51.32 37.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.608 1.193 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -151.29 118.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 0.793 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.433 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . 9.1 m-20 -50.7 124.33 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.409 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -48.14 -27.33 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 80' ' ' ASN . 0.1 OUTLIER -57.85 -31.34 66.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.981 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.24 67.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -100.83 13.54 34.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.222 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.58 6.93 14.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 87' ' ' ASP . 23.8 pt20 -106.14 -157.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -90.73 -58.55 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.51 110.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ALA . 16.4 pt -82.67 3.2 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 t -45.13 -35.51 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.404 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.37 -38.23 65.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -64.51 -41.16 96.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.2 mt -71.34 -48.45 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.203 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -57.09 -49.56 75.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -68.6 -41.95 78.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -50.54 -50.46 53.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 17.2 pttt -71.22 -40.37 71.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.527 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.8 ttt85 -64.27 -20.87 66.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.571 HG23 ' CD1' ' A' ' 64' ' ' TRP . 39.7 t -89.8 -57.61 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -30.78 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -25.58 6.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 110.254 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.496 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -73.99 177.76 1.95 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.96 1.13 8.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -67.96 -62.07 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 78.34 162.57 20.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.41 ' CG1' HG22 ' A' ' 23' ' ' VAL . 2.9 mm -44.21 -27.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.582 0.813 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -42.92 -36.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.196 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.81 -33.11 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.284 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.652 ' CG ' ' CD1' ' A' ' 31' ' ' LEU . 12.9 m-90 -97.65 43.9 1.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 113' ' ' ARG . 11.3 p -40.87 -27.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 109.256 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.481 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -45.21 -51.33 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.392 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.649 ' CE3' ' CB ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.13 -34.47 72.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 108.018 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 110' ' ' VAL . 6.9 ttt-85 -75.88 -11.46 59.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.7 30.32 5.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 1.6 t60 -151.87 -48.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.649 ' CB ' ' CE3' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -89.72 -57.67 2.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 108.268 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 116' ' ' CYS . 1.7 tm0? -37.67 -30.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 116' ' ' CYS . 2.0 t-20 -47.88 -55.8 9.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.06 -168.86 1.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -91.5 102.34 15.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.507 ' CD2' ' SG ' ' A' ' 116' ' ' CYS . 0.5 OUTLIER -96.61 18.73 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -20.76 62.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.49 -9.82 58.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 5' ' ' ARG . 1.1 t80 -74.59 -24.36 58.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.451 HG21 ' CG2' ' A' ' 29' ' ' VAL . 2.3 pt -106.51 -29.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -75.42 -0.15 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 124' ' ' TYR . 29.0 p30 -84.98 -22.15 29.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 127' ' ' ASN . 0.4 OUTLIER -74.57 -25.65 59.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 108.331 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 102.6 30.09 5.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.358 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.455 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.517 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 72.1 t -129.32 130.9 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.182 . . . . 0.0 109.378 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.578 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 8.4 m-85 -156.81 121.08 4.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ARG . 12.6 pt-20 -102.41 165.83 10.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -38.62 -68.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -44.38 -72.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.318 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -35.14 -66.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.608 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -46.63 -49.98 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.82 -52.84 46.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.4 1.063 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -58.18 -51.19 70.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ASN . 13.2 m -57.05 -54.67 44.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.08 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.77 -50.19 56.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.73 -28.83 69.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -79.49 -22.15 44.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.19 -38.9 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.85 44.28 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.439 ' HE1' ' CZ3' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -125.5 -38.61 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.949 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.93 112.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.54 33.17 28.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' TYR . 25.7 t80 -49.43 179.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -36.18 -52.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.943 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.42 -59.36 0.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.61 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 11.1 t -48.64 122.39 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 109.21 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -90.42 141.28 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 tp -43.02 -48.61 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.58 79.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 21.9 m-20 -66.16 -36.69 83.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 16.1 m95 -63.54 -55.37 24.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 107.964 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' GLN . 13.3 t -58.7 -63.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.399 1.062 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.483 ' CB ' HD23 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -45.19 -43.19 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 108.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 27.0 tp -58.28 -55.5 34.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.23 -19.81 65.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tm0? -74.19 -56.29 5.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.571 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.0 OUTLIER -60.76 -24.74 65.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.607 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' SER . 19.1 mm-40 -75.57 -63.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER 158.51 64.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.608 ' OD1' ' CD2' ' A' ' 8' ' ' PHE . 9.1 t30 -64.2 -155.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 5.7 m-85 62.4 -61.68 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ASN . 12.7 m-20 -129.06 150.42 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 1' ' ' LYS . 4.0 p -103.36 49.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' O ' ' OG1' ' A' ' 43' ' ' THR . 4.4 ttt-85 -88.73 -18.72 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.15 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 41' ' ' ARG . 7.3 p -143.38 135.6 26.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.344 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -150.63 94.27 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -89.96 157.85 17.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' SER . 75.7 m-20 -160.87 103.67 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.7 tpp180 -76.69 -30.97 56.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.98 -36.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -137.1 35.51 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.3 tp60 36.44 50.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.484 ' HB3' ' CD ' ' A' ' 62' ' ' ARG . 90.7 p -132.98 147.52 52.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.578 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.9 m -140.97 164.68 29.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.433 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASN . 5.4 t0 -149.79 108.62 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.656 ' CE2' ' OG ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -150.02 169.6 20.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.27 164.17 16.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mm -41.43 -60.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.536 0.786 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -89.14 23.23 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 40.65 77.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 9.8 mt -89.22 147.22 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.9 OUTLIER -80.42 135.12 36.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.656 ' OG ' ' CE2' ' A' ' 54' ' ' TYR . 0.7 OUTLIER -92.51 1.75 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.484 ' CD ' ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.04 -39.94 14.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.343 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.412 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -102.6 -46.55 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.412 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 28.6 m-90 -97.71 158.05 15.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.071 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.489 ' CB ' HD11 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.7 147.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.464 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . 11.9 t30 -89.99 -94.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 5.1 t70 176.24 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.12 -1.93 86.69 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.612 1.195 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.5 -46.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -107.19 103.32 47.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 60.05 5.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -121.15 -58.02 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -39.93 138.83 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.4 p -90.1 56.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.464 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 26.5 p-10 -38.96 96.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -85.0 -16.84 39.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.0 t -90.13 -32.52 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.424 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 74.01 61.03 3.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.584 1.178 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.489 HD11 ' CB ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -150.03 158.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.361 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 1.8 m-20 -70.77 123.79 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 7.8 m -49.35 -48.31 46.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.245 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 t -54.42 -25.11 22.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 80' ' ' ASN . . . -63.97 -12.24 35.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 15.0 mt -98.12 10.57 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.0 25.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -97.41 -164.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -88.2 -71.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.98 129.0 39.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ALA . 4.8 pt -82.95 3.67 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.9 t -42.98 -37.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.2 64.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -62.37 -35.87 80.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.423 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 12.2 mt -74.02 -53.74 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.366 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 5.2 tp60 -54.05 -43.32 70.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 99' ' ' VAL . 7.3 t -69.26 -53.66 18.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.73 -47.41 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -70.84 -43.04 69.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.506 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.32 -17.97 63.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 110.365 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 42.4 t -91.4 -55.93 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -31.6 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -53.28 -25.01 13.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.489 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -74.28 177.98 1.89 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.1 Cg_endo -75.0 2.28 6.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -68.94 -62.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.82 163.66 14.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.135 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.5 mm -47.67 -30.06 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -31.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.06 -32.11 14.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.416 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 9.5 m-90 -102.81 66.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 113' ' ' ARG . 11.9 p -45.94 -25.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.571 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -47.74 -46.27 29.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.527 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -60.45 -33.58 72.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 107.997 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.48 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 47.9 ttt-85 -64.87 -14.75 60.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.18 32.96 4.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.89 -45.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.527 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.53 -54.03 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.241 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.57 -13.61 15.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.403 1.064 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -62.15 -66.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.77 -169.94 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -88.0 103.59 15.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.483 HD23 ' CB ' ' A' ' 30' ' ' CYS . 14.7 tp -101.43 21.75 13.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.1 t -73.92 -21.77 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.938 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.74 -9.4 58.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -33.19 62.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.7 pt -94.03 -36.05 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 15.6 tpt180 -75.94 103.65 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 161.69 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -24.79 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.341 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.13 31.33 3.11 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.432 ' O ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 42.9 t -146.8 116.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.612 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -158.22 143.62 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.92 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' ARG . 9.8 pt-20 -101.31 177.84 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -38.14 -50.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -56.15 -77.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.407 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.3 mt-10 -35.98 -65.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.604 ' CE2' ' CB ' ' A' ' 32' ' ' ALA . 9.5 t80 -42.91 -51.09 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 111.034 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.42 -54.26 48.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.96 -56.24 9.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.422 1.076 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.1 m -54.91 -54.95 36.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.473 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.72 -51.27 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -68.57 -28.31 66.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' THR . 18.1 ttp180 -74.21 -26.38 60.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.3 t-20 -90.43 -40.9 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.09 50.0 0.75 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.146 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 -40.13 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB1' ' CD1' ' A' ' 25' ' ' LEU . . . -47.3 112.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 89.78 28.23 19.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 21' ' ' TYR . 30.2 t80 -47.53 178.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.68 -56.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.89 -63.83 0.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.671 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 11.6 t -43.64 120.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.497 0.763 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -89.63 146.83 24.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.971 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' CD1' ' HB1' ' A' ' 18' ' ' ALA . 20.8 tp -43.97 -46.21 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.34 94.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 49.0 m-20 -64.48 -37.15 86.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.671 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 11.9 m95 -65.76 -56.99 9.08 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.468 ' CG2' HG22 ' A' ' 125' ' ' ILE . 56.1 t -55.38 -59.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.472 ' CB ' HD21 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -50.53 -43.16 55.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.254 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 57' ' ' PHE . 35.9 tp -62.27 -58.72 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.604 ' CB ' ' CE2' ' A' ' 8' ' ' PHE . . . -56.94 -25.07 56.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' VAL . 43.5 tp60 -72.69 -55.44 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -60.84 -24.17 65.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.603 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.512 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 7.3 mm-40 -74.63 -59.38 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 t -176.76 -62.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.933 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' A' ' 39' ' ' ASN . 2.1 t-20 55.94 -169.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 3' ' ' TYR . 2.5 m-85 60.3 -74.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -122.41 138.56 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.513 ' CG2' ' OH ' ' A' ' 3' ' ' TYR . 42.7 p -81.65 59.61 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 43' ' ' THR . 2.0 ttp85 -102.45 -15.22 16.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.86 92.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.454 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 7.5 p -138.26 134.38 34.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -149.97 92.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.405 ' HA ' ' CG2' ' A' ' 52' ' ' THR . 28.0 p90 -88.75 155.17 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -161.66 103.76 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' GLY . 8.5 ttp-105 -75.37 -30.36 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -32.98 -41.92 0.13 Allowed Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.468 1.105 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -133.15 34.52 3.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 0.722 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' HG3' ' CB ' ' A' ' 70' ' ' THR . 12.8 tm0? 36.14 61.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 22.6 p -144.86 129.14 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 60' ' ' ASN . 87.8 m -125.21 126.7 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -108.74 103.6 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.679 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 p90 -152.67 162.91 40.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.64 156.02 9.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.549 HD11 ' CE1' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -47.42 -35.17 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 31' ' ' LEU . 10.8 m-85 -106.56 22.38 15.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 38.52 85.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 66.7 mt -104.6 145.04 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HA ' ' O ' ' A' ' 52' ' ' THR . 2.7 m-80 -91.2 139.25 30.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' THR . 14.2 t -91.35 9.63 30.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.497 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.5 OUTLIER -89.58 -26.86 20.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -116.91 -53.17 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CD1' HG23 ' A' ' 99' ' ' VAL . 69.0 m95 -99.56 160.5 14.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 107.965 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.36 153.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.163 . . . . 0.0 108.294 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.84 169.8 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -128.18 -46.15 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.07 -0.3 69.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -90.92 -16.35 28.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.466 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 1.2 m -139.89 106.74 6.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 57.38 4.57 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.409 1.742 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.4 -51.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.59 159.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 76' ' ' ALA . 11.0 p -123.39 66.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 5.0 p-10 -51.83 93.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.542 ' HB1' ' CZ3' ' A' ' 64' ' ' TRP . . . -79.01 -8.68 59.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.2 t -90.68 -38.39 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.53 54.41 26.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -144.28 158.21 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.79 . . . . 0.0 109.275 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 3.7 t30 -62.65 120.86 12.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.434 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 1.2 m -49.85 -46.42 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.307 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.52 -24.57 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 80' ' ' ASN . . . -62.64 -13.47 32.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.121 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.679 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 43.4 mt -104.01 16.67 25.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.86 15.09 2.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -102.23 -168.96 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.83 -70.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -43.68 126.83 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.559 HG22 ' CE2' ' A' ' 3' ' ' TYR . 24.0 pt -91.16 2.55 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -43.49 -44.48 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . -72.3 -37.72 68.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -59.28 -43.91 92.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 22.7 mt -72.22 -49.7 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.26 -49.62 73.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -67.87 -42.75 80.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 108.284 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -49.73 -49.8 46.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 8.0 ptmt -71.22 -40.81 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -64.32 -21.46 66.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.567 HG23 ' CD1' ' A' ' 64' ' ' TRP . 49.7 t -88.7 -58.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.6 t -57.37 -28.71 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -19.01 3.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -79.88 176.85 3.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -74.96 3.02 5.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -70.51 -62.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.232 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 78.11 161.43 17.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.505 HG22 ' CE3' ' A' ' 112' ' ' TRP . 7.9 mm -40.34 -29.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.451 0.736 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.454 ' N ' ' C ' ' A' ' 105' ' ' GLY . 23.7 ttm-85 -41.53 -36.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.49 -35.02 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.512 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 22.4 m-90 -100.98 63.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' ARG . 7.7 p -39.53 -31.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 109' ' ' TRP . . . -44.7 -51.26 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.553 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.12 -37.59 77.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.471 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -64.93 -14.83 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.12 29.88 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.65 -47.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.25 -53.25 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 108.236 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.16 56.56 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -146.74 -65.92 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -123.51 -171.99 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.87 100.19 12.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 30' ' ' CYS . 1.5 tt -96.1 15.23 21.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.4 m -74.14 -21.97 59.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -69.38 -11.43 60.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.422 ' CB ' HD23 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -79.05 -37.96 37.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.468 HG22 ' CG2' ' A' ' 29' ' ' VAL . 1.3 pt -88.93 -31.58 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.377 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 127' ' ' ASN . 10.2 tpt180 -76.54 95.52 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 42.7 t30 171.62 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -24.08 60.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 111.55 34.16 2.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.325 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.409 ' N ' ' CG2' ' A' ' 40' ' ' THR . 14.6 tttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.588 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 97.4 t -145.03 111.75 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 63.7 m-85 -162.81 140.37 8.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 5' ' ' ARG . 6.6 pt-20 -107.28 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -36.48 -63.65 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.2 m -49.58 -80.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -34.34 -64.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 4' ' ' GLU . 12.0 t80 -43.64 -47.96 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . -59.06 -55.87 29.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -48.38 -58.83 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASN . 9.7 m -52.14 -53.3 44.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp -46.93 -53.39 12.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -64.58 -29.98 71.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' NH1' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -74.82 -25.07 58.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.7 t30 -89.57 -41.27 12.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.59 36.47 1.42 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.473 ' HG3' ' CG2' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -116.53 -32.02 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -60.45 108.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.86 30.09 13.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.071 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.6 t80 -48.61 177.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -35.58 -56.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 111.033 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.18 -63.38 0.38 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.652 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 12.2 t -47.83 120.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.88 149.99 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.942 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 2.8 tp -49.4 -43.78 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.86 94.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.423 ' HA ' ' SG ' ' A' ' 116' ' ' CYS . 65.9 m-20 -65.07 -39.05 92.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.652 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 24.2 m95 -62.54 -59.35 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' GLN . 46.7 t -51.71 -62.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 121' ' ' LEU . 0.5 OUTLIER -44.98 -48.1 11.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 108.292 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 HD11 ' CG ' ' A' ' 109' ' ' TRP . 25.9 tp -55.82 -52.79 62.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.61 -20.36 66.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -73.83 -55.85 5.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -70.89 -22.83 62.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.64 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -75.47 -62.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 110.231 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -162.86 -68.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 65.0 t30 74.98 171.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 65.1 m-85 59.0 -111.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -87.44 134.17 33.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.426 HG23 ' CD1' ' A' ' 56' ' ' ILE . 29.1 p -84.61 50.7 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.9 ttt-85 -78.68 -16.8 56.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.72 103.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 54' ' ' TYR . 2.9 p -144.0 140.12 29.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -151.18 95.54 2.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.609 1.193 . . . . 0.0 109.373 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -90.69 149.91 21.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -160.3 103.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -80.54 -29.88 37.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.77 -34.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLN . 5.5 t70 -136.6 32.08 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' ASP . 5.2 tp-100 34.24 60.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 72.3 m -149.93 114.43 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.63 ' CG2' ' CE2' ' A' ' 54' ' ' TYR . 2.5 m -110.9 165.84 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.0 OUTLIER -150.27 112.89 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.63 ' CE2' ' CG2' ' A' ' 52' ' ' THR . 0.1 OUTLIER -150.94 171.13 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.76 157.96 11.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.426 ' CD1' HG23 ' A' ' 40' ' ' THR . 5.1 tt -54.6 -40.91 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.611 0.83 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -92.22 11.68 24.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 49.73 79.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 76.8 mt -99.5 145.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.15 138.93 30.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 8.8 t -92.85 4.62 53.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.51 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 2.2 ptt180 -88.76 -15.79 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -126.9 -52.89 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.431 ' O ' ' O ' ' A' ' 65' ' ' CYS . 81.7 m95 -97.11 154.94 17.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.431 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 60.01 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.32 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.494 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . 12.6 t30 -96.2 -96.5 0.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 1.6 t70 173.54 -47.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.448 ' H ' ' ND2' ' A' ' 66' ' ' ASN . . . 89.29 -1.02 81.92 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.47 1.106 . . . . 0.0 111.104 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.82 -43.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 0.722 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -108.4 101.61 43.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 71.04 5.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.485 1.782 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 73' ' ' ALA . 1.4 mmt180 -141.51 -55.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -38.41 137.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 0.0 109.223 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' ALA . 15.0 p -88.71 59.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.494 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 28.9 p-10 -44.32 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.53 -12.83 58.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.5 t -90.68 -25.74 19.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 108.302 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.09 53.41 30.11 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.417 ' CG2' ' C ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -149.11 166.34 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.254 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -83.27 123.78 29.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.429 ' SG ' ' OH ' ' A' ' 54' ' ' TYR . 83.7 m -47.72 -31.48 4.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -29.65 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.79 -10.7 39.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mt -103.09 8.53 38.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tp -137.53 11.6 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -93.13 -171.41 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -69.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.92 133.14 43.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ALA . 9.4 pt -93.52 1.02 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -43.64 -36.31 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.52 -40.98 63.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -60.83 -40.04 91.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 11.4 mt -72.48 -50.84 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -56.53 -48.82 76.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -67.58 -42.77 81.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 108.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -50.68 -49.37 57.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -69.44 -43.76 72.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.6 OUTLIER -61.69 -23.43 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.507 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 75.8 t -85.26 -57.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.62 -22.3 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 -64.82 -16.19 62.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.513 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -77.48 178.44 2.11 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.04 1.81 7.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -69.31 -61.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.55 157.46 15.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.462 ' CD1' HD23 ' A' ' 31' ' ' LEU . 6.5 mm -42.24 -28.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -41.96 -35.5 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.81 -35.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.615 1.197 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.466 ' CG ' HD11 ' A' ' 31' ' ' LEU . 17.2 m-90 -102.41 64.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 108.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' ARG . 95.9 t -44.38 -27.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -47.08 -47.62 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.522 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -58.91 -35.68 73.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 107.987 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 110' ' ' VAL . 26.2 ttt180 -65.0 -15.42 62.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.02 30.94 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.55 -44.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.575 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.47 -53.96 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.227 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -14.58 23.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.1 -71.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -134.98 -166.97 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.65 104.04 5.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 1.5 tm? -98.35 15.69 23.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.4 t -82.17 -16.21 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -72.01 -16.62 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -78.85 -30.15 44.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 pt -98.48 -27.23 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 109.249 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 2.9 ttt180 -78.53 123.18 26.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 19.3 t30 74.85 24.98 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -82.06 -33.18 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.62 36.37 1.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.497 ' HA ' ' CG2' ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.422 ' N ' ' HG2' ' A' ' 1' ' ' LYS . 45.5 t -126.03 121.29 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.574 ' CE2' HG21 ' A' ' 89' ' ' ILE . 69.9 m-85 -140.73 118.37 11.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 5' ' ' ARG . 1.3 pt-20 -97.78 166.59 11.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' GLU . 1.1 ptt-85 -34.6 -56.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLU . 75.9 m -54.01 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.33 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 6' ' ' CYS . 4.1 mt-10 -34.47 -64.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -40.78 -53.31 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 25' ' ' LEU . . . -56.86 -55.86 29.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -47.69 -59.46 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ASN . 17.5 m -50.47 -55.72 14.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.474 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -45.81 -53.63 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -65.72 -26.52 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' THR . 36.4 ttt85 -76.62 -27.08 55.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.0 t30 -89.72 -42.8 11.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.39 59.66 0.49 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.578 ' SD ' ' CZ2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -129.75 -41.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 0.719 . . . . 0.0 111.018 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -57.9 123.07 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 94.63 20.4 29.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.6 t80 -49.22 -178.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 110.988 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.94 -42.26 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.424 1.077 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.3 -64.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.08 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.473 ' CG1' HG13 ' A' ' 106' ' ' ILE . 11.6 m -45.02 114.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.3 165.72 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 29.7 tp -47.62 -44.16 26.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.58 91.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 32.3 t0 -64.01 -39.82 94.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ2' ' SD ' ' A' ' 17' ' ' MET . 71.8 m95 -65.92 -60.96 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.037 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.4 ' CG2' HG23 ' A' ' 125' ' ' ILE . 75.7 t -48.48 -57.69 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.472 ' HB3' ' CD1' ' A' ' 121' ' ' LEU . 1.5 p -53.88 -47.3 71.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.524 HD13 ' CE3' ' A' ' 109' ' ' TRP . 3.8 tp -53.61 -56.51 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . . . -61.72 -25.22 67.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -68.12 -52.4 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.172 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 111' ' ' ALA . 28.8 t-80 -66.87 -22.96 65.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -77.13 -64.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.1 t -163.99 -67.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.585 ' O ' ' N ' ' A' ' 39' ' ' ASN . 7.5 t-20 66.76 176.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.563 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 14.5 m-85 62.45 -62.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.585 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.5 m120 -113.6 136.81 52.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.497 ' CG2' ' HA ' ' A' ' 1' ' ' LYS . 6.8 t -108.16 47.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ttp-105 -120.45 19.48 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 0.0 110.309 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 55' ' ' GLY . . . -50.22 119.47 3.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.573 HG22 ' CE2' ' A' ' 54' ' ' TYR . 5.8 p -150.15 131.72 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.7 t30 -151.27 103.04 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.82 149.14 24.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -161.81 103.79 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.12 -31.97 39.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.85 -42.92 1.17 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.428 1.08 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -120.15 30.56 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 0.818 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' A' ' 49' ' ' ASP . 3.6 tp60 33.49 54.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.526 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 53.8 p -146.48 150.48 35.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.173 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.539 HG23 ' CD1' ' A' ' 54' ' ' TYR . 98.9 m -135.07 154.54 51.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -124.22 99.48 6.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.573 ' CE2' HG22 ' A' ' 43' ' ' THR . 3.5 m-85 -126.29 158.41 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 42' ' ' ALA . . . 102.04 146.03 17.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.4 tt -53.54 -32.81 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CE1' HD22 ' A' ' 31' ' ' LEU . 34.6 m-85 -89.43 21.4 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 111.09 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 40.64 67.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.7 mt -89.96 133.26 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.622 1.202 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.1 t-20 -77.44 133.67 38.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -90.47 5.57 47.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.526 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 18.5 ttt180 -91.72 -20.24 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -122.66 -48.66 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.569 ' CD1' HG21 ' A' ' 99' ' ' VAL . 8.1 m-90 -110.74 154.47 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.039 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.8 OUTLIER 55.71 167.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -159.21 -167.87 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -121.97 -52.82 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.86 1.26 17.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -101.79 -17.26 16.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.592 0.819 . . . . 0.0 109.33 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -124.41 90.83 50.36 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 68.98 5.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -145.07 -50.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.72 164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' TYR . 14.9 p -120.04 53.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -50.26 96.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.46 -12.38 60.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.7 t -90.58 -36.95 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.11 55.64 18.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -150.78 173.52 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' ALA . 7.0 m-20 -89.13 120.47 30.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.8 m -47.01 -30.37 2.59 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -38.96 75.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' ASN . . . -61.13 -15.15 30.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 mt -102.26 13.02 35.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.83 25.31 4.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.37 -165.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.349 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -76.28 -56.16 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 109.216 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -77.85 136.83 38.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.574 HG21 ' CE2' ' A' ' 3' ' ' TYR . 44.3 pt -87.05 3.74 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 t -44.5 -47.54 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.431 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.59 -36.83 79.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 96' ' ' ALA . . . -61.71 -48.23 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.3 mt -64.88 -48.58 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.28 -45.62 68.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.4 t -70.62 -44.07 67.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 92' ' ' ALA . . . -51.97 -49.97 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 22.0 pttt -70.12 -40.53 74.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.539 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 8.0 ttt180 -62.78 -25.0 68.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 64' ' ' TRP . 17.5 t -85.9 -55.97 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.222 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -32.83 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -46.68 -27.83 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.302 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.485 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.18 177.65 1.67 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.07 -1.81 11.73 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -64.43 -61.91 1.93 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 0.0 110.354 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 77.27 153.21 5.53 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.552 HD12 ' CE3' ' A' ' 109' ' ' TRP . 1.0 OUTLIER -41.07 -29.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 0.805 . . . . 0.0 109.407 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' N ' ' C ' ' A' ' 105' ' ' GLY . 8.7 ttp180 -39.41 -35.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.18 -35.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.552 ' CE3' HD12 ' A' ' 106' ' ' ILE . 12.8 m-90 -90.48 57.12 3.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 113' ' ' ARG . 77.4 t -40.87 -29.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.434 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -45.28 -50.15 12.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.466 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -56.5 -39.48 73.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 107.99 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.466 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 9.3 ttp180 -61.72 -15.17 38.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.87 32.04 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.357 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.6 -45.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.67 -54.3 4.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 108.249 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.56 55.79 0.66 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -146.06 -61.63 0.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -170.07 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -88.58 99.53 12.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 30' ' ' CYS . 1.4 tm? -96.96 16.23 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.378 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.73 -27.43 40.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.71 -14.65 61.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.419 ' CB ' HD11 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -79.17 -25.87 42.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 126' ' ' ARG . 7.7 pt -101.83 -35.05 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.1 OUTLIER -74.85 122.5 23.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 45.6 t30 82.46 29.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' ILE . 0.3 OUTLIER -96.16 -32.89 12.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 111.92 38.4 1.41 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.595 1.185 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.562 0.801 . . . . 0.0 109.304 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 38' ' ' TYR . 2.4 t -146.92 127.13 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.816 ' CE2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -162.05 141.51 9.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.416 1.073 . . . . 0.0 111.04 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -109.44 174.08 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.92 -68.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -46.93 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.256 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -31.27 -68.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.816 ' CE1' ' CE2' ' A' ' 3' ' ' TYR . 1.6 t80 -42.53 -59.08 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.06 -51.46 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -63.1 -53.85 47.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.2 m -54.44 -54.35 42.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.51 -49.22 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -62.25 -29.23 70.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.83 -19.46 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -88.24 -40.71 13.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.01 41.87 1.62 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 ttt -122.42 -38.35 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -51.92 111.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 87.15 30.77 18.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' TYR . 22.6 t80 -47.92 178.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -33.86 -52.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.86 -64.52 0.2 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.65 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 11.5 t -44.6 122.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.14 151.79 21.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 4.5 tp -47.46 -46.94 27.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.67 95.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -62.54 -37.64 86.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.65 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 59.6 m95 -65.87 -61.05 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 108.046 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' GLN . 12.3 t -50.54 -55.1 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.489 ' CB ' HD23 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -52.33 -49.84 63.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.449 1.093 . . . . 0.0 108.265 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.51 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 1.5 tm? -48.89 -57.23 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.527 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -68.57 -20.69 64.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.388 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 29' ' ' VAL . 4.8 tm0? -66.12 -53.4 38.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' ND1' ' A' ' 115' ' ' HIS . 5.6 t-160 -64.09 -17.73 63.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.666 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 5.1 mm-40 -81.18 -66.69 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.8 p -164.07 -67.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' OD1' ' CE1' ' A' ' 3' ' ' TYR . 5.5 t30 73.69 170.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 3' ' ' TYR . 9.8 m-85 69.42 -58.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -138.7 131.58 29.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.428 ' CB ' ' HB ' ' A' ' 56' ' ' ILE . 18.3 p -76.66 54.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 110.381 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -6.7 58.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 55' ' ' GLY . . . -52.11 103.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.639 ' CG2' ' CD2' ' A' ' 54' ' ' TYR . 2.1 p -147.47 123.95 11.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.456 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.78 101.24 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -88.3 154.95 20.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -159.85 104.23 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -76.7 -34.73 58.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -37.15 -39.79 0.49 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.599 1.187 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 50' ' ' GLN . 36.5 t70 -125.33 33.04 5.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 49' ' ' ASP . 14.2 pt20 32.91 44.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 67.9 m -132.97 147.85 52.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.944 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.714 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.6 m -139.92 133.36 30.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 110.36 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -104.38 95.87 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.714 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 5.0 m-85 -126.05 159.77 31.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 111.058 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 58' ' ' GLN . . . 105.64 145.11 12.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.634 ' CD1' ' CE2' ' A' ' 3' ' ' TYR . 5.6 tt -51.13 -35.18 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.406 ' O ' ' NE1' ' A' ' 109' ' ' TRP . 22.2 m-85 -89.9 19.96 4.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' GLY . 3.6 tp60 42.27 69.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.1 mt -95.25 141.12 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -85.42 131.8 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.216 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' THR . 12.3 m -90.34 11.59 20.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.15 -19.99 24.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.362 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.56 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -126.22 -54.96 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.951 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CD1' HG21 ' A' ' 99' ' ' VAL . 1.4 m95 -97.41 160.55 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 58.21 160.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -140.42 -164.2 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -137.43 -51.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.2 -3.61 28.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -113.75 -13.3 12.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.9 m -121.25 86.78 43.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 55.33 3.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.54 -50.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.85 167.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 76' ' ' ALA . 14.3 p -119.99 47.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -41.24 96.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.521 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -84.76 -8.28 58.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 1.8 t -89.82 -30.7 17.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.436 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 64.68 51.21 53.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.1 OUTLIER -150.39 134.27 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -63.47 119.65 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -46.09 -26.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 80' ' ' ASN . 3.1 m -54.82 -35.98 64.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.86 -18.85 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 81' ' ' CYS . 0.7 OUTLIER -106.62 18.59 21.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.67 -75.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -143.94 31.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.02 -67.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -168.1 -179.85 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.213 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.6 pt -98.74 -17.81 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.4 -45.16 12.54 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.459 1.099 . . . . 0.0 110.485 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.85 82.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -63.2 -37.7 88.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.5 mt -71.97 -53.85 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -54.88 -47.08 74.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 110.363 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -69.5 -41.29 76.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 108.315 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -51.59 -48.04 63.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 3.8 ptpt -71.8 -43.56 65.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.469 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 2.7 ttt180 -63.22 -21.75 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.575 HG21 ' CD1' ' A' ' 64' ' ' TRP . 26.5 t -88.63 -58.09 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -31.63 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -48.28 -27.57 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.604 1.19 . . . . 0.0 110.372 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.474 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -71.62 176.6 2.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.0 Cg_endo -75.09 2.08 7.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -68.25 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 76.3 160.77 10.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.537 HD12 ' CZ3' ' A' ' 28' ' ' TRP . 3.6 mm -41.0 -29.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -42.71 -34.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.3 -34.93 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.528 ' CE3' HD11 ' A' ' 106' ' ' ILE . 19.1 m-90 -98.93 64.43 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 113' ' ' ARG . 76.3 t -41.61 -29.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -46.35 -48.72 18.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.087 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.407 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -53.96 -37.98 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 107.995 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 110' ' ' VAL . 7.5 ttt180 -61.33 -15.83 39.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.273 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.03 32.87 4.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.599 ' ND1' ' CE1' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -146.63 -46.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.671 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -54.59 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 108.319 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.68 56.95 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -144.83 -58.38 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.61 -170.3 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -94.31 100.51 12.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.489 HD23 ' CB ' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -93.01 15.05 15.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -24.35 62.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -12.66 60.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.461 ' CB ' HD22 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -77.52 -33.89 54.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 pt -96.22 -34.53 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 127' ' ' ASN . 18.8 tpt180 -76.88 109.87 11.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 163.68 -27.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -24.34 60.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.261 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 103.14 30.38 5.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.4 tptt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 3.3 t -147.26 118.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.226 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' TYR . 8.6 m-85 -163.21 137.89 6.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 5' ' ' ARG . 22.9 pt-20 -99.31 174.68 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -37.49 -65.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -45.82 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 108.334 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -35.26 -65.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.49 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.8 OUTLIER -40.7 -51.33 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.11 -57.26 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -52.42 -54.92 25.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.6 m -51.13 -52.76 40.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mp -51.91 -56.67 12.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' CA ' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -61.05 -24.7 66.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' ARG . 1.3 ttt180 -81.91 -25.32 35.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.7 t30 -90.14 -44.02 10.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.22 42.33 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.474 ' HE3' ' CE1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -124.04 -38.42 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 111.018 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . . . -49.24 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' MET . . . 107.58 29.17 4.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.474 ' CE1' ' HE3' ' A' ' 17' ' ' MET . 5.6 t80 -47.25 177.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.981 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -31.82 -44.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.77 -66.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.6 HG11 ' CZ2' ' A' ' 28' ' ' TRP . 2.3 p -52.38 111.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -89.95 166.4 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -49.87 -31.53 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.76 67.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.52 ' OD1' ' CD1' ' A' ' 112' ' ' TRP . 54.0 t0 -65.71 -35.17 79.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.6 ' CZ2' HG11 ' A' ' 23' ' ' VAL . 86.4 m95 -66.37 -58.93 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 25' ' ' LEU . 60.4 t -50.79 -59.06 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.488 ' HB3' ' CD2' ' A' ' 121' ' ' LEU . 1.2 p -52.92 -45.13 67.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.518 HD13 ' CG ' ' A' ' 109' ' ' TRP . 22.8 tp -55.13 -52.56 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -66.44 -23.31 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' VAL . 35.2 tp60 -69.31 -53.2 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -64.83 -23.59 67.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.589 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 4.8 mm-40 -80.7 -59.66 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.365 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.78 -64.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 39' ' ' ASN . 4.9 t-20 65.42 179.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.503 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 5.5 m-85 61.3 -62.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.613 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.8 m-20 -127.62 145.26 50.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.479 HG23 ' CD1' ' A' ' 56' ' ' ILE . 52.8 p -98.15 55.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -90.45 -19.97 23.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.49 98.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.449 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 5.1 p -136.95 129.26 29.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.465 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.41 89.12 1.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.569 ' CE2' HG22 ' A' ' 52' ' ' THR . 38.4 m-85 -90.3 158.68 17.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -162.03 104.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.3 ttm180 -74.16 -32.1 62.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.26 -35.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -139.18 32.96 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 49' ' ' ASP . 21.5 tp60 34.18 53.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.424 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 93.2 p -137.88 116.15 11.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.569 HG22 ' CE2' ' A' ' 45' ' ' TYR . 2.3 m -112.87 152.52 29.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -135.97 105.43 6.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.701 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 p90 -152.63 167.66 28.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.59 156.96 10.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.479 ' CD1' HG23 ' A' ' 40' ' ' THR . 1.2 tt -46.89 -38.52 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CE1' ' HB1' ' A' ' 32' ' ' ALA . 18.5 m-85 -104.35 24.21 11.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 39.66 77.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.2 mt -96.17 149.86 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -90.61 135.37 33.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.66 0.61 57.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.424 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 1.3 ttt180 -88.07 -15.6 35.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.47 -60.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CD2' HG21 ' A' ' 99' ' ' VAL . 84.2 m95 -92.36 159.51 15.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.479 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.09 154.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 1.5 t-20 -134.87 -170.82 2.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -127.98 -48.78 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.52 -0.36 37.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -131.22 12.54 5.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 0.79 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -129.76 88.76 48.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.47 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.52 5.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.44 -62.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.84 162.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' ALA . 8.2 p -123.0 59.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 4.8 p-10 -43.08 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.486 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . . . -79.62 -10.06 59.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.9 t -91.32 -30.63 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.312 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.48 45.26 96.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -137.87 169.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' N ' HG12 ' A' ' 79' ' ' ILE . 4.3 m-20 -72.45 121.59 19.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.593 1.183 . . . . 0.0 109.378 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.429 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 1.3 m -51.02 -29.85 13.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 5.6 p -59.76 -23.59 63.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.476 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -65.91 -10.18 36.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.701 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 16.1 mt -101.9 6.08 41.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.6 tp -145.07 16.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 82' ' ' SER . 4.0 mm-40 -90.21 -172.45 3.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.17 -70.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -56.87 142.26 41.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' A' ' 93' ' ' ILE . 4.8 pt -95.62 -0.09 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 91' ' ' ALA . 10.0 t -42.81 -37.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.393 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -73.63 -43.45 59.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -56.6 -40.83 75.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 89' ' ' ILE . 8.7 mt -73.19 -53.93 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -54.64 -43.94 72.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.8 t -70.72 -43.66 68.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -51.55 -45.25 62.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -73.11 -44.43 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 12.4 tpt180 -60.75 -27.63 68.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 110.351 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.492 HG21 ' CD2' ' A' ' 64' ' ' TRP . 15.3 t -82.92 -56.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 102' ' ' ASP . 16.4 t -54.49 -30.54 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.46 -22.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.519 ' OD2' ' CG ' ' A' ' 104' ' ' GLN . 0.0 OUTLIER -57.95 174.82 0.31 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.224 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.94 -34.83 3.6 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.551 1.816 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.519 ' CG ' ' OD2' ' A' ' 102' ' ' ASP . 3.6 mm100 -56.84 -62.27 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 90.37 -178.49 43.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.513 ' CD1' ' CD2' ' A' ' 31' ' ' LEU . 4.0 mm -40.57 -29.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.581 0.812 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 105' ' ' GLY . 6.1 ttt180 -38.92 -38.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.04 -37.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.6 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 20.1 m-90 -96.71 67.01 2.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 113' ' ' ARG . 13.7 p -48.97 -23.33 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.79 -41.27 44.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.52 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -65.41 -30.95 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 107.946 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.496 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 34.6 ttt180 -66.94 -15.2 63.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.09 31.34 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 -44.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.74 -54.52 4.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 108.329 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -8.99 25.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -69.76 -64.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.45 -171.5 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -85.44 102.06 13.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 2.1 tt -91.72 14.03 16.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 m -72.17 -28.93 63.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -12.66 61.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.424 ' CB ' HD22 ' A' ' 121' ' ' LEU . 0.9 OUTLIER -76.39 -33.58 58.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.989 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.8 pt -92.61 -39.75 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -69.48 101.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.0 OUTLIER 161.75 -27.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -24.84 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 108.349 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 104.81 29.06 5.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.778 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.454 ' N ' ' OG1' ' A' ' 40' ' ' THR . 22.6 mmtt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.564 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 76.4 t -121.52 137.94 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.573 ' CE2' HG12 ' A' ' 89' ' ' ILE . 7.4 m-85 -155.28 107.5 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.2 176.02 5.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.573 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -45.16 -48.75 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -58.27 -76.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 108.266 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -36.66 -65.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.509 ' CE2' HD12 ' A' ' 12' ' ' LEU . 11.1 t80 -47.22 -50.95 19.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 5' ' ' ARG . . . -52.95 -50.58 63.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -57.43 -56.6 19.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ASN . 3.9 m -52.49 -56.07 17.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.509 HD12 ' CE2' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -48.83 -55.27 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -62.41 -26.1 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.8 tpt85 -81.09 -23.73 38.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -89.39 -42.53 11.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.44 51.98 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.02 -39.73 2.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.754 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -59.02 137.31 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.17 18.54 62.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 21' ' ' TYR . 5.3 t80 -48.86 179.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 0.789 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -31.68 -45.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.932 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.84 -66.09 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.477 ' CG1' HG13 ' A' ' 106' ' ' ILE . 4.6 m -42.63 112.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.94 162.71 14.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 109.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 24.7 tp -46.11 -44.94 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.95 94.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.0 -38.13 89.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.417 ' CZ3' HD11 ' A' ' 106' ' ' ILE . 87.5 m95 -65.04 -63.09 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 108.026 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' GLN . 2.8 t -45.53 -55.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HB2' ' CD1' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -49.63 -59.88 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.265 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 106' ' ' ILE . 4.6 tt -51.66 -41.54 61.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.12 68.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 34.4 tp60 -72.59 -52.83 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.473 ' CD2' ' CG ' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.02 -25.82 61.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.612 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.9 mm-40 -75.96 -64.63 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER 159.57 52.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.901 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 39' ' ' ASN . 1.9 t-20 -59.23 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 61.67 -62.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.614 1.196 . . . . 0.0 111.01 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.594 ' N ' ' O ' ' A' ' 37' ' ' ASN . 13.5 m120 -108.34 146.98 32.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.458 HG22 ' CD1' ' A' ' 3' ' ' TYR . 31.5 p -122.75 51.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.436 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -114.5 5.87 15.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.31 93.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 3.2 p -138.96 125.46 20.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.413 1.071 . . . . 0.0 110.439 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.4 92.28 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -88.89 159.28 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -162.49 106.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 48' ' ' GLY . 1.1 tpp180 -75.66 -31.08 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.15 -37.35 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.3 t0 -136.97 34.69 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.469 ' HG3' ' CB ' ' A' ' 70' ' ' THR . 7.7 tm0? 34.68 52.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 60.0 p -139.91 121.95 15.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.608 1.192 . . . . 0.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 61' ' ' SER . 2.1 m -117.49 131.24 56.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -108.82 103.37 12.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.62 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -153.21 169.05 23.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.047 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.34 148.07 9.66 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.451 1.094 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 92' ' ' ALA . 0.9 OUTLIER -47.4 -33.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' GLN . 3.5 m-30 -105.5 31.04 5.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 33.97 79.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.7 mt -105.41 142.7 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -87.49 140.27 29.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 52' ' ' THR . 4.5 m -90.7 1.84 56.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.963 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.513 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 6.4 ptm180 -88.62 -4.17 58.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -135.46 -44.74 0.68 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.438 ' O ' ' O ' ' A' ' 65' ' ' CYS . 9.9 m-90 -108.93 162.04 14.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.012 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.6 OUTLIER 60.61 146.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.414 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 6.0 p30 -117.25 170.63 8.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -136.5 -58.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.1 3.25 36.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.84 -16.05 27.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.469 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 1.2 m -145.2 106.06 4.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.82 4.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.801 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 -46.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.2 160.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' ALA . 5.2 p -123.6 54.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -40.12 99.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -84.38 -10.87 57.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.9 t -92.19 -37.82 12.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.309 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.75 53.94 21.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -148.51 151.19 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.8 . . . . 0.0 109.331 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -61.07 125.6 24.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 86.1 m -56.48 -36.03 68.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -25.03 19.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.01 -22.96 66.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.62 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 5.8 mt -96.65 7.39 46.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.33 19.72 12.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.2 -161.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -71.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.09 153.67 4.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.226 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 3' ' ' TYR . 7.8 pt -99.03 5.65 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.372 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.0 t -44.04 -32.44 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.4 55.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.486 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . . . -62.22 -38.39 89.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.428 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 13.4 mt -73.3 -52.08 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 2.5 tp60 -56.34 -42.7 78.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.3 t -70.62 -49.31 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 108.296 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.98 -45.49 31.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -72.01 -44.37 63.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.218 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.489 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 3.8 tpt180 -59.95 -24.52 64.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 56.4 t -86.34 -55.46 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.075 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 84.2 t -56.17 -27.52 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -52.09 -19.73 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.231 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.474 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -80.26 176.68 3.55 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.05 0.37 9.01 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.425 1.75 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.24 -63.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 79.6 160.82 21.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.539 HD13 ' CE3' ' A' ' 109' ' ' TRP . 1.2 mm -42.92 -28.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -40.7 -36.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.359 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.78 -35.85 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.539 ' CE3' HD13 ' A' ' 106' ' ' ILE . 9.6 m-90 -92.36 68.63 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 107.985 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 10.9 p -43.85 -27.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -49.33 -48.34 46.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.519 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -53.82 -28.6 36.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 108.027 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.466 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 9.6 ttp85 -69.21 -19.87 63.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -129.05 32.69 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.473 ' CG ' ' CD2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -150.72 -43.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.561 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.519 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 28.6 m -88.59 -62.89 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.73 55.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -128.88 -66.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.22 -168.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -85.39 97.35 9.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 1.5 tm? -100.36 16.81 23.23 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -25.85 38.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -69.6 -9.74 55.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.573 ' CE2' ' HD2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -77.62 -35.55 52.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.414 ' CG2' HG23 ' A' ' 29' ' ' VAL . 4.3 pt -92.32 -36.49 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 23.5 tpt180 -64.32 102.89 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 162.35 -28.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -25.28 59.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 102.93 27.61 6.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.582 0.813 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.492 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.575 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 3.3 p -122.01 139.86 47.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 2' ' ' VAL . 3.2 m-85 -166.04 123.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' ARG . 10.0 pt-20 -103.93 167.4 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -38.85 -58.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -53.09 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.165 . . . . 0.0 108.274 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -35.62 -64.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 110.27 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.496 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 6.3 t80 -40.33 -55.99 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.92 -54.58 40.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -48.13 -59.83 3.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASN . 3.5 m -52.99 -56.8 13.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -49.38 11.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -32.15 73.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' THR . 12.5 ttt180 -74.16 -25.83 59.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.57 -40.09 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.24 48.92 0.74 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.403 ' HE1' ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -124.21 -39.06 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.62 108.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.04 34.87 25.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' TYR . 55.0 t80 -47.76 176.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -35.84 -46.98 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -124.05 -56.87 0.18 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.421 1.076 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.567 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 39.9 t -50.22 124.44 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.431 0.724 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -90.37 146.74 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -49.04 -45.02 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.86 -45.97 85.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.608 ' HA ' ' CE3' ' A' ' 112' ' ' TRP . 6.0 t0 -63.49 -34.27 77.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.567 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 7.5 m95 -64.13 -62.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.477 ' CG2' HG21 ' A' ' 125' ' ' ILE . 58.2 t -54.42 -59.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.353 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 33' ' ' GLN . 4.4 t -43.33 -57.68 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.577 ' CD1' ' CE3' ' A' ' 109' ' ' TRP . 3.0 tt -49.48 -48.14 48.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -65.21 -23.76 67.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' VAL . 8.2 tp-100 -76.0 -57.64 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.49 ' CD2' ' HB3' ' A' ' 111' ' ' ALA . 34.3 t-80 -57.74 -26.19 61.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.671 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' OE2' ' NE1' ' A' ' 109' ' ' TRP . 8.3 mm-40 -75.3 -59.98 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.7 t -174.69 -63.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' A' ' 39' ' ' ASN . 7.7 t30 65.69 -175.75 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.575 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 16.0 m-85 62.14 -60.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.615 ' N ' ' O ' ' A' ' 37' ' ' ASN . 28.8 t-20 -139.75 154.57 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 1' ' ' LYS . 7.7 p -102.03 51.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -82.6 -19.88 37.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 110.272 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.92 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.492 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 6.6 p -138.08 121.11 16.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -140.71 89.59 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.205 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -89.02 154.17 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -161.73 103.37 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.9 ttt180 -76.02 -31.94 59.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.55 -33.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -137.0 33.47 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' ASP . 41.9 tp60 35.95 53.47 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.537 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 95.5 p -138.35 140.61 39.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 61' ' ' SER . 7.7 m -142.07 129.93 21.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER -112.58 105.92 14.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.699 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.4 p90 -153.79 166.05 34.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.12 152.93 9.46 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 tt -49.23 -33.12 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.22 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.409 ' O ' ' OE2' ' A' ' 35' ' ' GLU . 6.1 m-85 -104.43 21.63 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PHE . 2.4 tt0 38.53 82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.354 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.3 mt -108.1 147.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.4 OUTLIER -90.83 138.26 31.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' THR . 22.9 t -91.03 2.08 56.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.051 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.537 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 3.1 ptm180 -89.28 8.7 29.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -150.32 -48.31 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.434 ' O ' ' O ' ' A' ' 65' ' ' CYS . 20.9 m-90 -109.08 163.63 13.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 107.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 61.83 140.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 108.294 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.542 ' ND2' HD21 ' A' ' 75' ' ' ASN . 3.2 p30 -120.54 -178.78 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 24.6 t0 -132.92 -47.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.12 -1.75 54.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -114.67 -5.73 12.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 m -129.78 90.77 42.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.85 -56.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.45 160.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' ALA . 3.1 p -120.8 52.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.542 HD21 ' ND2' ' A' ' 66' ' ' ASN . 34.2 p-10 -38.09 97.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.175 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -84.28 -12.29 54.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.1 t -90.22 -38.01 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 108.291 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.16 56.32 10.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.419 HD13 ' CB ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -145.64 149.45 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.581 0.812 . . . . 0.0 109.271 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -57.23 124.5 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.436 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 3.1 m -51.24 -34.75 33.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 108.268 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.507 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -59.7 -25.2 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 91' ' ' ALA . . . -62.29 -15.13 45.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.699 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 17.9 mt -98.73 2.66 47.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.75 11.73 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 82' ' ' SER . 2.0 mm-40 -90.37 -172.33 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.55 -71.28 0.5 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.409 1.068 . . . . 0.0 109.33 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -53.27 126.44 21.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 93' ' ' ILE . 2.0 pt -86.43 1.91 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.77 -35.95 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 83' ' ' ALA . . . -75.43 -40.28 57.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -59.66 -40.65 88.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.471 ' CD1' HD11 ' A' ' 89' ' ' ILE . 7.9 mt -74.95 -52.59 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.481 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 4.4 tp60 -56.23 -43.34 78.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 99' ' ' VAL . 11.1 t -69.85 -53.72 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.347 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -43.6 -48.4 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 5.1 pttt -72.01 -40.15 68.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.545 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 8.1 tpt180 -63.03 -23.31 67.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 42.9 t -88.71 -57.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.98 -27.37 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -19.34 3.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.5 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -75.52 177.93 2.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.04 1.83 7.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.83 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 83.37 158.59 26.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.552 HD11 ' CE3' ' A' ' 109' ' ' TRP . 7.8 mm -41.38 -27.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.45 0.735 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 105' ' ' GLY . 7.5 ttt180 -35.28 -34.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 106' ' ' ILE . . . -44.73 -35.73 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.577 ' CE3' ' CD1' ' A' ' 31' ' ' LEU . 16.0 m-90 -104.62 50.31 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' A' ' 113' ' ' ARG . 12.2 p -42.7 -24.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.49 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . . . -44.44 -49.08 9.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.743 ' CE3' ' CB ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.22 -35.37 73.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 108.085 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -76.07 -9.27 58.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.218 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.01 29.45 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.3 OUTLIER -152.56 -46.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.612 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.743 ' CB ' ' CE3' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -89.36 -50.27 6.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 59.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 116' ' ' CYS . 4.9 t30 -156.88 -44.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.51 -170.23 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -96.14 99.41 11.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.489 ' CD1' ' SG ' ' A' ' 116' ' ' CYS . 0.8 OUTLIER -100.54 17.73 20.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -22.89 56.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 123' ' ' GLN . 8.7 tp60 -72.38 -13.74 61.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -31.0 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.477 HG21 ' CG2' ' A' ' 29' ' ' VAL . 2.0 pt -99.51 -34.35 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 7.2 tpt180 -82.36 110.36 17.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 160.49 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -24.2 59.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 108.54 33.05 2.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' A' ' 38' ' ' TYR . 74.3 t -131.2 124.89 56.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.732 ' CZ ' ' CD1' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -158.38 156.88 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.83 -177.78 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.51 -64.75 0.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 7' ' ' GLU . 75.2 m -44.47 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 108.4 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.1 mm-40 -32.26 -65.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.732 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 t80 -44.63 -55.44 5.21 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.423 1.077 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.96 -51.66 39.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.94 -57.54 11.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.1 m -54.55 -54.17 44.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.35 -51.73 18.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -66.17 -29.46 69.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -75.75 -24.74 56.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -89.45 -39.93 13.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.97 45.71 0.74 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.451 ' SD ' ' CD1' ' A' ' 20' ' ' TYR . 48.2 tpp -123.22 -38.35 2.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 0.802 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . . . -50.13 110.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.72 32.95 23.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.451 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 15.8 t80 -49.22 179.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -36.41 -50.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.16 -60.42 0.2 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.65 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 11.1 t -49.2 121.39 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.9 t -90.23 147.21 23.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 18' ' ' ALA . 16.4 tp -46.08 -45.81 16.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -59.9 -40.2 87.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 5.3 m-20 -65.48 -38.02 88.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.65 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 27.7 m95 -63.55 -58.15 7.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' GLN . 43.1 t -52.35 -62.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.484 ' HB2' ' CD2' ' A' ' 121' ' ' LEU . 1.1 p -49.21 -45.45 44.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 108.38 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 33.8 tp -55.53 -54.45 43.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.377 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.26 -18.9 65.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' NE2' ' HH ' ' A' ' 124' ' ' TYR . 29.7 tp60 -72.75 -56.64 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -66.87 -19.44 65.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -78.56 -66.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -158.97 -70.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 2.5 t-20 67.32 172.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.53 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 9.0 m-85 71.62 -58.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 2' ' ' VAL . 12.0 t-20 -134.2 150.13 51.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.451 ' OG1' ' HB2' ' A' ' 1' ' ' LYS . 10.4 p -111.21 67.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.422 ' N ' ' OD1' ' A' ' 39' ' ' ASN . 34.3 ttm180 -112.98 -2.19 14.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 55' ' ' GLY . . . -40.46 102.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.6 HG22 ' CD2' ' A' ' 54' ' ' TYR . 9.2 p -146.25 115.38 7.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.21 96.9 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.454 ' HA ' ' CG2' ' A' ' 52' ' ' THR . 28.8 p90 -87.47 155.6 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -161.6 104.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -31.08 62.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -36.5 -36.3 0.15 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -130.37 32.72 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 49' ' ' ASP . 36.4 tp60 35.09 53.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.548 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 85.8 p -145.1 154.79 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.685 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 10.9 m -146.5 130.47 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' HB3' ' NE2' ' A' ' 58' ' ' GLN . 23.1 m-20 -95.91 92.83 6.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.685 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 3.2 m-85 -122.21 156.33 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 42' ' ' ALA . . . 100.47 144.32 15.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.646 HD11 ' CE2' ' A' ' 3' ' ' TYR . 16.4 tt -51.63 -31.76 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.414 ' N ' HG22 ' A' ' 56' ' ' ILE . 17.0 m-85 -89.48 21.25 3.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 53' ' ' ASP . 7.5 tp60 38.81 67.36 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.1 mt -93.07 136.42 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -81.35 131.42 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 6.7 t -83.07 7.23 16.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.548 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 5.0 ptm180 -91.38 11.28 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -151.18 -48.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.073 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.568 ' CD1' HG23 ' A' ' 99' ' ' VAL . 13.9 m95 -119.88 155.22 33.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.017 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.442 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 61.99 132.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 108.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -161.75 -166.75 1.53 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.411 ' OD2' ' CB ' ' A' ' 69' ' ' LYS . 1.7 t0 -118.58 -53.57 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.26 -2.24 20.67 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' CB ' ' OD2' ' A' ' 67' ' ' ASP . 2.4 tttp -99.25 -8.03 25.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.632 0.842 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 70' ' ' THR . 8.3 t -108.94 103.4 51.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.15 3.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.22 -68.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -173.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -150.54 97.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.432 ' ND2' ' H ' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -67.36 63.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -55.41 -17.92 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 1.4 t -88.18 -29.99 20.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.381 1.051 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.467 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.04 53.58 25.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -152.6 149.56 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.561 0.8 . . . . 0.0 109.229 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' SER . 2.2 m-20 -75.64 124.28 26.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.417 ' SG ' ' OG ' ' A' ' 61' ' ' SER . 71.8 m -45.85 -27.16 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' ASN . 5.6 t -55.57 -39.17 70.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -18.92 27.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -100.24 13.63 33.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.502 HD11 ' CE2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -129.86 23.26 5.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -119.74 -168.09 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.3 -62.12 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.44 112.14 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' ALA . 20.3 pt -86.57 2.41 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.82 -36.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.87 -42.32 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -60.12 -40.03 88.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.2 mt -71.12 -49.6 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.13 -48.84 75.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -68.33 -41.33 80.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.285 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -50.93 -50.68 57.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 13.1 pttt -69.71 -43.77 71.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.487 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -61.62 -23.29 65.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 64' ' ' TRP . 14.1 t -85.53 -57.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.66 -28.23 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -52.38 -20.15 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.472 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -78.38 176.59 3.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.227 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -74.97 0.96 8.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -66.97 -60.84 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 107' ' ' ARG . . . 76.54 157.8 7.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.47 ' CD1' HD21 ' A' ' 31' ' ' LEU . 4.3 mm -39.45 -30.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.241 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 105' ' ' GLY . 25.6 ttt180 -40.11 -36.2 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.26 -35.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.429 ' CG ' HD12 ' A' ' 31' ' ' LEU . 25.4 m-90 -97.88 62.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 113' ' ' ARG . 63.3 t -40.26 -30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -44.87 -50.22 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.01 -39.72 75.28 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.49 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -63.12 -15.4 56.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.395 1.06 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.45 30.92 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.84 -47.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.638 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.567 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.4 OUTLIER -89.38 -53.41 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.356 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.77 55.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -141.92 -62.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.57 -170.0 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -88.8 100.08 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 30' ' ' CYS . 13.1 tp -101.03 20.12 16.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -72.4 -25.34 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.13 -12.49 60.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.52 ' HH ' ' NE2' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -76.4 -28.64 56.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 111.042 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.42 ' CG2' HG21 ' A' ' 29' ' ' VAL . 1.1 pt -106.0 -31.45 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -78.22 131.52 37.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 72.26 22.5 3.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -89.18 -35.76 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 108.346 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 175.75 -33.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.2 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.415 ' N ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.449 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 95.5 t -95.55 128.97 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.587 ' O ' ' N ' ' A' ' 38' ' ' TYR . 2.3 m-85 -164.48 102.62 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.421 ' HA ' ' N ' ' A' ' 38' ' ' TYR . 7.2 pt-20 -109.46 172.32 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.574 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 15.5 ptt-85 -37.07 -56.61 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.0 m -55.54 -80.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 108.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' CYS . 2.1 mm-40 -34.01 -65.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 56' ' ' ILE . 8.9 t80 -42.83 -49.6 5.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . . . -58.02 -55.05 39.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' ARG . 18.3 ttt85 -48.42 -55.69 10.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ASN . 12.5 m -53.96 -54.71 35.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.445 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.59 -53.32 11.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -26.09 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 10' ' ' ARG . 57.6 ttt180 -76.74 -24.32 53.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.1 t-20 -89.04 -40.86 12.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.23 50.94 1.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.1 tpt -118.04 -36.46 3.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.573 0.807 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -62.91 152.47 36.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 85.56 10.76 76.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' GLY . 1.4 t80 -46.94 177.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.76 -55.86 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -122.56 -65.79 0.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.595 HG21 ' CD1' ' A' ' 28' ' ' TRP . 4.4 p -45.0 105.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASP . 58.3 p -90.2 161.94 15.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.574 1.171 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 21.0 tp -43.59 -45.45 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.42 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.55 ' OD1' ' CD1' ' A' ' 112' ' ' TRP . 37.6 t0 -63.17 -39.37 94.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.595 ' CD1' HG21 ' A' ' 23' ' ' VAL . 87.3 m95 -65.87 -59.69 3.6 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG21 ' CG2' ' A' ' 125' ' ' ILE . 32.4 t -45.6 -56.66 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 31' ' ' LEU . 5.9 p -57.51 -48.4 79.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 57' ' ' PHE . 2.7 tm? -50.18 -49.68 51.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.22 -20.1 57.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.583 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 4.5 tm0? -66.64 -53.18 36.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.478 ' CD2' ' HB3' ' A' ' 111' ' ' ALA . 3.5 t60 -56.3 -21.71 25.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.2 mm-40 -81.78 -62.52 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER 157.63 72.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.04 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.576 ' CG ' ' O ' ' A' ' 37' ' ' ASN . 5.4 p30 -71.96 107.18 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CZ ' ' HB2' ' A' ' 39' ' ' ASN . 2.5 p90 174.92 -33.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.639 ' HB2' ' CZ ' ' A' ' 38' ' ' TYR . 3.3 m120 -150.38 160.71 43.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.464 ' O ' ' OG1' ' A' ' 40' ' ' THR . 0.7 OUTLIER -119.84 44.7 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' ALA . 14.7 ttt180 -114.8 -20.74 10.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' ARG . . . -38.86 106.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 4.8 p -138.54 146.86 42.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.8 m120 -151.39 93.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -92.08 162.51 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -162.47 104.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . 13.9 ttt180 -76.97 -29.58 55.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -32.79 -36.81 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' ARG . 11.1 t0 -139.0 35.13 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.2 tp-100 34.96 55.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.547 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 97.0 p -143.91 110.0 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.542 HG22 ' CE2' ' A' ' 54' ' ' TYR . 1.2 m -105.88 164.22 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -152.0 114.72 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.542 ' CE2' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -152.02 176.73 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.63 156.64 23.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.57 HG22 ' CE1' ' A' ' 8' ' ' PHE . 1.2 mm -47.29 -45.84 9.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.548 0.793 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 31' ' ' LEU . 33.2 m-85 -89.48 16.93 6.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 40.4 71.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 10.6 mt -88.21 143.97 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.436 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 11.4 t-20 -86.6 139.12 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.431 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -92.66 -0.54 57.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.547 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 13.8 ttt-85 -88.76 -29.83 19.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -106.65 -65.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 111.033 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.589 ' CD1' HG22 ' A' ' 99' ' ' VAL . 26.7 m-90 -69.51 -125.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.58 1.175 . . . . 0.0 107.933 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -36.11 150.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.434 ' CG ' ' HB3' ' A' ' 75' ' ' ASN . 1.9 m-20 -135.1 179.25 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -108.46 -56.74 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.17 -4.56 26.94 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -95.99 -10.04 29.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 0.736 . . . . 0.0 109.237 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 t -130.27 92.16 36.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.38 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 55.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.42 -46.35 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.82 -164.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 63' ' ' TYR . 3.1 p -150.25 84.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.379 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.434 ' HB3' ' CG ' ' A' ' 66' ' ' ASN . 38.7 p-10 -55.7 99.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.56 -21.85 41.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.39 -32.78 16.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.41 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.23 57.68 10.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.41 ' CG2' ' C ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER -148.86 162.24 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.03 130.4 40.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 61' ' ' SER . 1.3 m -63.4 -37.42 87.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -26.58 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.06 -26.4 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 3.3 mt -91.89 6.95 44.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.252 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.01 24.81 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.61 -164.55 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -60.94 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.38 161.99 15.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 92' ' ' ALA . 3.5 pt -103.02 6.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -43.76 -34.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.5 -40.25 67.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -64.62 -37.72 88.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 12.7 mt -71.87 -48.99 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -55.38 -49.23 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.6 t -68.27 -44.18 76.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.415 1.072 . . . . 0.0 108.288 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -51.44 -50.02 60.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.531 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -68.63 -40.76 80.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.395 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.531 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 2.0 tpt180 -66.22 -20.57 66.16 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.589 HG22 ' CD1' ' A' ' 64' ' ' TRP . 42.7 t -86.83 -54.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.419 ' CG2' HG12 ' A' ' 106' ' ' ILE . 70.2 t -58.76 -34.84 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -67.4 -15.4 63.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.527 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -83.67 179.13 2.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.527 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.91 3.8 5.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -78.02 -62.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 75.9 149.84 2.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.448 HD12 ' CE3' ' A' ' 109' ' ' TRP . 2.6 mm -42.31 -28.59 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.218 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 105' ' ' GLY . 3.8 ttt180 -39.75 -36.3 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.367 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.8 -35.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.518 ' CG ' HD21 ' A' ' 31' ' ' LEU . 12.2 m-90 -96.87 65.82 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 108.028 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 113' ' ' ARG . 8.7 p -40.33 -29.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.478 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . . . -43.78 -51.17 7.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.55 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -55.61 -40.61 72.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 107.983 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 110' ' ' VAL . 18.4 ttt85 -61.0 -14.47 23.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.34 33.84 4.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.411 ' CG ' ' HD1' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -150.61 -45.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.478 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.0 -54.18 4.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.307 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 56.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -148.16 -58.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.42 -169.75 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.15 101.54 14.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 1.9 tm? -90.72 9.84 28.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -23.57 53.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -69.31 -13.69 62.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -77.42 -33.25 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.495 ' CG2' HG21 ' A' ' 29' ' ' VAL . 7.7 pt -92.7 -35.79 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.7 OUTLIER -60.19 109.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 51.9 t30 81.6 25.22 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -93.57 -34.79 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 171.72 -33.08 0.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.245 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.438 ' N ' ' HG2' ' A' ' 1' ' ' LYS . 11.5 t -90.39 128.06 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 38' ' ' TYR . 33.2 m-85 -134.69 116.25 14.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.84 169.34 8.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 -68.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -45.38 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 108.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -35.01 -66.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.345 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -41.85 -49.62 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.19 -56.04 27.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -50.0 -57.13 8.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.0 m -51.03 -53.8 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.483 HD23 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -48.85 -57.36 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.39 -23.53 67.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 10' ' ' ARG . 5.8 tpt180 -80.03 -25.14 40.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.1 t30 -89.14 -43.38 11.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.46 40.75 0.84 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' A' ' 20' ' ' TYR . 32.8 tpp -121.1 -37.46 2.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 0.819 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . . . -43.16 105.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 97.6 31.5 6.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.599 1.187 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 4.4 t80 -44.22 174.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.63 -32.48 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.52 1.137 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -150.02 -43.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.657 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 27.9 t -67.11 114.69 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.87 156.19 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 0.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.487 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -54.86 -37.08 65.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.07 -53.73 53.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.702 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -64.31 -35.22 80.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.657 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 9.6 m95 -57.26 -53.63 55.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 107.982 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' GLN . 87.0 t -60.98 -54.75 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -51.15 -45.64 61.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.584 HD23 ' CE3' ' A' ' 109' ' ' TRP . 13.5 tp -60.86 -60.98 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -54.1 -27.64 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 38' ' ' TYR . 16.0 tp60 -69.61 -54.23 14.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.417 ' HD1' ' CG ' ' A' ' 115' ' ' HIS . 3.3 t60 -55.68 -26.32 44.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.647 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 5.5 mm-40 -80.65 -64.59 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.44 -67.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.574 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 18.1 t30 57.58 -164.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.635 ' CE2' ' NE2' ' A' ' 33' ' ' GLN . 33.5 m-85 62.81 -61.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -135.24 127.98 31.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.3 p -69.68 57.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.442 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.402 ' O ' ' OG1' ' A' ' 43' ' ' THR . 1.6 ttp180 -109.4 2.75 20.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 55' ' ' GLY . . . -54.25 98.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.563 HG23 ' CE2' ' A' ' 54' ' ' TYR . 3.0 p -148.53 123.97 10.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -150.5 100.53 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -88.8 154.21 20.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -161.34 105.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -30.92 56.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.82 -44.15 1.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -121.67 30.56 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 0.728 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' ASP . 52.3 tp60 36.66 47.42 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 p -135.07 150.6 50.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.648 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.7 m -142.84 132.43 23.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -103.31 99.34 9.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.648 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 4.5 m-85 -128.0 158.82 36.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' ALA . . . 101.61 148.15 21.04 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 37' ' ' ASN . 9.4 tt -51.64 -33.13 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . 18.3 m-85 -91.69 20.3 5.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' GLY . 2.0 tp60 39.04 66.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.5 mt -89.26 137.1 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 p-10 -81.0 132.3 35.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.408 1.068 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.1 t -90.39 14.85 11.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -19.32 26.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.418 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . 1.7 m-85 -134.53 -47.96 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.45 ' CE2' HG11 ' A' ' 99' ' ' VAL . 6.2 m0 -93.57 159.66 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.402 ' SG ' ' OG ' ' A' ' 61' ' ' SER . 0.7 OUTLIER 52.33 177.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -151.69 -169.49 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -129.19 -50.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.96 -0.0 10.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -145.36 35.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 t -132.64 83.21 54.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 53.66 3.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -150.47 -50.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.99 160.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' ASN . 5.2 p -120.72 49.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' VAL . 38.0 p-10 -37.38 101.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.91 -19.82 40.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.637 1.21 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.417 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 2.0 t -88.94 -32.5 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.452 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.21 50.92 54.31 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.538 1.149 . . . . 0.0 111.066 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.452 ' CG2' ' C ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -151.14 145.08 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -64.19 124.91 22.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.58 -25.72 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 108.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -33.07 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.955 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.92 43.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.35 2.41 42.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' CD1' ' CG2' ' A' ' 43' ' ' THR . 0.4 OUTLIER -115.41 20.33 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -95.33 -163.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -87.23 -50.74 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -73.4 118.4 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ALA . 18.2 pt -82.21 2.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -43.24 -40.73 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.85 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.466 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -62.31 -39.33 92.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.171 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 15.7 mt -73.81 -51.75 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.427 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 20.3 tt0 -55.69 -43.09 76.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.3 t -73.03 -43.41 62.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -53.22 -40.03 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 11.1 ptmt -77.87 -44.29 27.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.48 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.1 tpt85 -59.45 -26.58 65.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.45 HG11 ' CE2' ' A' ' 64' ' ' TRP . 44.1 t -89.91 -56.1 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.395 1.06 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 102' ' ' ASP . 3.3 t -52.36 -28.49 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -45.29 -23.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -67.6 176.69 1.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -74.95 -26.83 10.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -87.93 -63.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.422 ' CA ' ' HA ' ' A' ' 100' ' ' VAL . . . 46.67 -116.51 2.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.648 ' CG2' ' CE3' ' A' ' 112' ' ' TRP . 8.1 mm -43.64 -42.3 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.49 -32.11 3.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.93 -34.09 58.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.584 ' CE3' HD23 ' A' ' 31' ' ' LEU . 6.3 m-90 -98.82 62.73 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 108.024 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 109' ' ' TRP . 7.9 p -39.17 -35.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -39.51 -52.4 2.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.702 ' CZ2' ' HB3' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -48.29 -59.76 3.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 1.183 . . . . 0.0 107.945 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.53 -18.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 111' ' ' ALA . . . -127.39 34.5 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 16.7 t60 -150.82 -55.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.583 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -87.51 -52.26 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.22 57.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' CYS . 3.8 t30 -149.35 -50.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.42 -170.49 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -91.22 104.1 16.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.55 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 2.1 tm? -89.3 13.45 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 t -79.38 -16.5 56.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.7 -12.64 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.203 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.489 ' CB ' HD12 ' A' ' 121' ' ' LEU . 0.3 OUTLIER -81.64 -38.62 25.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.8 pt -88.75 -38.74 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.422 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 5.4 tpt180 -63.31 99.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER 161.71 -27.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -24.36 60.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 101.03 28.73 6.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.673 ' N ' ' HG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -142.15 140.71 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.801 ' CD1' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -145.8 135.52 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.981 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.52 160.39 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.83 -65.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.525 ' O ' ' C ' ' A' ' 7' ' ' GLU . 78.3 m -45.52 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 108.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -28.92 -68.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.801 ' CD1' ' CD1' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -44.67 -53.49 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . -50.6 -51.73 45.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -57.57 -52.51 65.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ASN . 11.4 m -57.59 -55.56 33.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -50.26 35.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -65.25 -31.07 72.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -76.94 -23.27 52.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.1 t-20 -88.61 -40.23 13.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.2 65.74 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.105 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.3 tpp -149.38 -42.25 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 111.082 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.45 118.19 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.4 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.6 26.64 41.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.598 1.186 . . . . 0.0 111.061 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 21' ' ' TYR . 27.0 t80 -48.55 178.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -36.14 -53.09 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -116.65 -57.86 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG12 ' CD1' ' A' ' 28' ' ' TRP . 5.3 t -47.2 120.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 0.768 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -90.12 141.75 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.9 tp -43.94 -43.08 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.76 97.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.604 ' HA ' ' CZ3' ' A' ' 112' ' ' TRP . 57.2 t0 -64.3 -39.17 93.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.566 ' CD1' HG12 ' A' ' 23' ' ' VAL . 28.5 m95 -61.3 -59.61 5.02 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' GLN . 38.5 t -57.53 -59.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' GLN . 13.9 t -46.78 -56.74 5.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 108.299 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.3 tt -47.9 -52.37 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -63.83 -24.04 67.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' VAL . 2.0 tt0 -70.89 -53.73 14.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -64.16 -24.2 67.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -75.87 -63.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -154.9 -71.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.055 . . . . 0.0 110.051 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.668 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . 3.4 t30 60.67 166.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.561 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 1.7 m-85 64.55 -60.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 37' ' ' ASN . 9.1 m120 -112.73 146.51 38.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.673 ' HG1' ' N ' ' A' ' 1' ' ' LYS . 1.5 p -121.89 52.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.466 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -119.01 8.32 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.09 107.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.02 130.19 20.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.0 m-80 -150.28 91.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -88.47 155.81 19.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -159.2 104.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -78.11 -30.77 49.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.82 -36.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -135.15 33.86 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' ASP . 38.8 tp60 34.32 55.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.529 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 19.5 p -144.1 103.75 4.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 61' ' ' SER . 20.2 m -98.96 128.58 45.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.1 m-20 -110.23 106.2 15.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.699 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.6 p90 -153.5 166.15 33.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.18 152.06 9.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.469 HD13 ' CE2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -51.23 -29.18 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -105.01 16.67 25.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 41.82 84.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.75 146.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.444 ' HA ' ' O ' ' A' ' 52' ' ' THR . 2.7 t-20 -91.84 142.28 27.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' THR . 29.7 t -91.63 4.79 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.529 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.07 -11.28 44.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.442 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -131.4 -42.95 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CD1' HG23 ' A' ' 99' ' ' VAL . 30.1 m-90 -108.67 166.32 10.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 57.86 160.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.345 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -145.83 -169.28 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -133.2 -56.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.48 -0.1 30.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -120.92 5.29 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 70' ' ' THR . 14.5 t -146.67 91.89 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.85 5.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.52 -50.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.57 146.31 49.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.4 p -104.85 58.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -40.28 98.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.95 -13.71 57.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.3 t -90.53 -35.23 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.7 54.91 16.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.43 HD11 ' CB ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -147.04 155.95 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 2.2 m-80 -63.36 130.7 45.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.443 ' CA ' ' OH ' ' A' ' 54' ' ' TYR . 22.0 m -55.43 -45.19 76.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -21.94 12.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 80' ' ' ASN . . . -63.28 -22.6 66.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.699 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 75.0 mt -96.75 12.05 33.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.51 28.4 4.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.92 -163.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -64.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.13 155.52 38.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.714 ' CD1' ' CE1' ' A' ' 8' ' ' PHE . 22.6 pt -95.73 7.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.11 -39.92 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.76 -37.92 67.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -62.11 -37.15 84.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 14.1 mt -75.34 -54.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 11.9 tm0? -54.9 -45.13 74.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' VAL . 7.2 t -69.41 -53.11 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -43.89 -45.1 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 1.3 pttt -74.25 -41.25 61.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.5 tpt180 -62.92 -23.58 67.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.564 HG23 ' CD1' ' A' ' 64' ' ' TRP . 39.5 t -89.0 -58.21 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.414 ' CG2' HG12 ' A' ' 106' ' ' ILE . 0.3 OUTLIER -53.26 -31.89 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 100' ' ' VAL . 1.0 OUTLIER -44.95 -28.25 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 110.321 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.482 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -53.3 177.54 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.04 -25.86 11.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.444 ' CG ' ' HB3' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -52.63 -92.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.462 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 125.45 163.54 11.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 31' ' ' LEU . 2.2 mm -39.7 -29.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 105' ' ' GLY . 1.7 tmm_? -37.73 -37.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.496 ' CD2' HD12 ' A' ' 31' ' ' LEU . 24.7 m-90 -95.85 49.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 108.004 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' ARG . 9.5 p -39.46 -29.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' TRP . . . -40.64 -51.27 3.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.688 ' CE3' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.64 -47.22 82.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 108.027 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -68.46 -7.41 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.0 32.01 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.6 OUTLIER -151.76 -51.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.648 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.688 ' HB2' ' CE3' ' A' ' 112' ' ' TRP . 1.3 m -89.19 -55.89 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 108.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 116' ' ' CYS . 2.1 tp60 -35.3 -32.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 116' ' ' CYS . 15.7 t30 -50.93 -53.92 28.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 116' ' ' CYS . 1.0 OUTLIER -130.23 -168.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -95.51 102.75 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.502 HD21 ' CG ' ' A' ' 124' ' ' TYR . 0.4 OUTLIER -97.02 18.57 14.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.0 m -68.98 -17.95 64.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -76.27 -8.53 57.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.502 ' CG ' HD21 ' A' ' 121' ' ' LEU . 2.0 t80 -75.28 -27.97 59.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.7 pt -103.96 -29.0 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 1.4 tpt180 -71.6 119.74 16.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 48.4 t30 82.26 26.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -98.65 -31.21 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 114.86 36.35 1.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.317 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.44 ' N ' ' HG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.0 t -125.46 130.03 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -127.53 106.28 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 5' ' ' ARG . 10.5 pt-20 -100.9 165.61 11.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.53 1.144 . . . . 0.0 110.238 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.541 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -37.52 -57.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.7 m -55.08 -80.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -33.52 -64.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.38 1.05 . . . . 0.0 110.281 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.524 ' CE2' ' CB ' ' A' ' 32' ' ' ALA . 10.2 t80 -45.03 -50.28 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.47 -51.78 67.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 14' ' ' ARG . 29.4 ttp180 -51.48 -55.1 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 14' ' ' ARG . 19.8 m -55.88 -56.39 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.437 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.46 -51.74 11.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -69.33 -26.31 64.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.5 tpt85 -74.28 -25.83 59.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -89.64 -39.93 12.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.61 43.94 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.461 ' HE1' ' CZ2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -123.61 -38.04 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 110.993 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' CB ' ' CD1' ' A' ' 25' ' ' LEU . . . -49.2 105.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 87.43 34.93 9.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.411 1.069 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 21' ' ' TYR . 44.0 t80 -48.31 179.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 0.79 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.508 ' HB2' ' CD2' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -32.0 -54.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.03 -65.11 0.27 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.584 HG11 ' CD1' ' A' ' 28' ' ' TRP . 23.3 t -40.6 129.23 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.29 156.62 18.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 33.8 tp -61.46 -46.3 90.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -55.78 -46.8 77.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.419 1.074 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.609 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 25.8 m-20 -66.83 -35.87 81.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.182 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CD1' HG11 ' A' ' 23' ' ' VAL . 2.2 m95 -58.79 -50.18 74.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.0 -59.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -48.83 -49.75 37.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.247 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.558 HD12 ' CD1' ' A' ' 109' ' ' TRP . 25.3 tp -53.11 -54.2 39.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.524 ' CB ' ' CE2' ' A' ' 8' ' ' PHE . . . -60.52 -27.23 67.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.52 -54.37 17.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.616 1.198 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -61.2 -22.77 65.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.1 -59.26 2.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.1 t -170.5 -65.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 39' ' ' ASN . 21.0 t30 46.12 -159.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.7 m-85 58.58 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.066 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.2 m120 -108.86 140.21 42.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.44 ' HG1' ' N ' ' A' ' 1' ' ' LYS . 30.8 p -91.38 51.42 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 0.0 110.412 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -123.1 17.6 9.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.93 93.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.538 HG22 ' CE2' ' A' ' 54' ' ' TYR . 3.1 p -145.76 116.24 7.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -150.58 101.25 2.93 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -87.9 160.94 17.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -159.18 103.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -72.4 -32.75 66.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.34 -34.95 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -137.16 34.71 2.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 tp60 36.37 40.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 45.1 p -122.78 151.71 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.565 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.2 m -143.82 130.83 20.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.439 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -100.9 97.28 7.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.565 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 3.2 m-85 -125.39 160.18 30.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' GLN . . . 96.41 143.89 15.8 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.53 1.143 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 37' ' ' ASN . 11.9 tt -51.05 -29.75 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.409 ' CZ ' ' HZ ' ' A' ' 8' ' ' PHE . 26.7 m-85 -89.71 20.32 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 37.46 64.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 mt -91.16 137.0 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.0 OUTLIER -81.67 137.45 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 52' ' ' THR . 1.5 m -91.26 4.34 52.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.489 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.61 -4.28 58.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.34 -54.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.498 ' CD1' HG22 ' A' ' 99' ' ' VAL . 11.7 m-90 -105.18 134.79 47.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 107.958 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.475 ' CB ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 63.15 133.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 108.337 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.653 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -161.22 -171.03 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.653 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 6.2 t70 94.83 -10.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.5 -2.42 34.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -150.99 -68.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 t -149.99 137.26 11.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 58.53 4.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 73' ' ' ALA . 9.4 ttt85 -110.49 -39.61 4.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -52.63 -174.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.24 73.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -55.33 100.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.69 -20.29 56.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.375 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.484 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 2.4 t -91.63 -29.71 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.441 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.8 53.09 32.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.1 OUTLIER -150.58 164.83 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.474 0.75 . . . . 0.0 109.307 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.39 127.9 34.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 65' ' ' CYS . 77.5 m -51.98 -31.05 27.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 108.313 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 p -53.02 -36.5 60.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.43 -28.78 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.37 10.61 40.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -115.82 26.88 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -118.06 -167.29 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -78.53 -64.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -53.46 116.33 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ALA . 37.5 pt -81.76 2.57 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -43.15 -35.66 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.21 -42.0 60.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -60.05 -40.67 90.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.423 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 7.9 mt -72.54 -50.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 1.4 tm0? -56.28 -45.12 80.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.8 t -70.0 -42.83 72.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 108.253 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.75 -46.05 67.31 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -71.2 -44.91 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -62.23 -22.69 66.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.498 HG22 ' CD1' ' A' ' 64' ' ' TRP . 39.9 t -85.65 -56.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -31.23 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -25.8 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.492 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.1 177.49 1.72 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.05 0.37 9.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -66.14 -61.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.458 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 76.16 160.06 9.48 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.581 1.176 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.64 ' CG2' ' CE3' ' A' ' 112' ' ' TRP . 1.4 mm -39.64 -29.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 0.722 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -41.74 -38.37 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.221 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.4 -37.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.558 ' CD1' HD12 ' A' ' 31' ' ' LEU . 32.4 m-90 -92.12 56.19 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.047 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 109' ' ' TRP . 5.4 p -34.66 -36.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -42.04 -56.74 2.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.64 ' CE3' ' CG2' ' A' ' 106' ' ' ILE . 0.9 OUTLIER -51.01 -58.32 6.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -50.03 -18.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 112' ' ' TRP . . . -129.12 34.75 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 3.7 t-80 -151.04 -54.59 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.651 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.593 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -87.37 -48.62 7.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 108.338 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -69.47 57.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' CYS . 5.7 t-20 -147.73 -54.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.09 -170.4 2.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -95.36 100.3 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.541 HD13 ' CD1' ' A' ' 124' ' ' TYR . 6.6 tp -101.24 21.05 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.6 m -73.11 -28.25 62.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.62 -10.96 56.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.541 ' CE2' ' HD2' ' A' ' 5' ' ' ARG . 1.1 t80 -76.86 -27.1 54.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 26' ' ' ALA . 1.4 pp -112.89 -33.06 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -76.33 119.28 20.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 4.2 t-20 80.23 26.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -83.99 -28.1 27.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 114.23 35.15 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.559 ' N ' ' CE2' ' A' ' 3' ' ' TYR . 33.5 mttt . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 13.5 p -92.31 106.57 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.559 ' CE2' ' N ' ' A' ' 1' ' ' LYS . 47.1 m-85 -137.61 130.7 30.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 5' ' ' ARG . 15.9 pt-20 -121.23 175.65 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.267 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -32.74 -61.26 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -51.29 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.248 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -33.63 -66.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -39.03 -50.58 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.79 -56.14 24.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -48.05 -57.22 6.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 15' ' ' ASN . 8.1 m -53.37 -52.29 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.461 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.46 -53.88 12.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -66.17 -27.74 68.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -76.5 -25.37 54.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -89.15 -42.27 11.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.5 43.01 2.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.43 ' CE ' ' CZ2' ' A' ' 28' ' ' TRP . 1.4 tmm? -111.62 -31.31 7.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 0.753 . . . . 0.0 111.061 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -67.28 150.73 48.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 85.05 12.4 74.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' GLY . 1.8 t80 -46.33 176.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.09 -56.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -119.31 -66.28 0.29 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 28' ' ' TRP . 6.1 p -45.53 110.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.6 m -91.22 164.8 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.073 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 31.6 tp -49.48 -43.94 45.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.62 98.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' HA ' ' SG ' ' A' ' 116' ' ' CYS . 49.1 m-20 -62.4 -40.24 95.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.582 ' CD1' HG22 ' A' ' 23' ' ' VAL . 73.8 m95 -64.98 -61.17 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 33' ' ' GLN . 85.2 t -50.27 -58.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.471 ' CB ' HD22 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -51.94 -42.68 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 108.329 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 106' ' ' ILE . 9.8 tp -59.62 -59.52 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.563 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . . . -59.37 -22.49 61.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.529 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.4 OUTLIER -71.83 -55.87 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.58 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.1 t-80 -60.89 -24.64 66.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.569 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.5 mm-40 -72.56 -63.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.68 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 1.3 m 155.05 69.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.937 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.784 ' O ' ' HB3' ' A' ' 38' ' ' TYR . 3.2 p-10 -61.74 136.28 57.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.784 ' HB3' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER 154.7 -124.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.568 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -92.63 139.56 30.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.4 p -70.74 53.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -100.68 0.46 39.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 55' ' ' GLY . . . -53.53 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.551 HG21 ' CD2' ' A' ' 54' ' ' TYR . 2.3 p -142.39 119.91 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -150.16 97.28 2.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.468 ' HA ' ' CG2' ' A' ' 52' ' ' THR . 50.1 p90 -87.99 160.46 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' SER . 78.5 m-20 -162.05 105.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -34.95 63.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -39.77 -40.04 1.48 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -119.97 31.17 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' ASP . 16.1 pt20 31.87 47.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.498 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 54.1 m -142.25 154.3 44.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.696 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 6.2 m -142.07 132.02 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.46 96.35 7.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.696 ' CD1' ' CG2' ' A' ' 52' ' ' THR . 3.9 m-85 -125.33 159.33 32.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 42' ' ' ALA . . . 103.69 151.56 22.4 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 tt -54.27 -38.11 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.496 ' CZ ' ' CZ ' ' A' ' 8' ' ' PHE . 19.1 m-85 -89.21 23.65 2.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 38.8 67.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.7 mt -93.01 138.76 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.6 128.0 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.409 ' OG ' ' SG ' ' A' ' 65' ' ' CYS . 10.4 m -88.05 15.19 7.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 110.016 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.498 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.24 -11.28 44.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.6 t80 -139.76 -47.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.592 1.183 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' A' ' 65' ' ' CYS . 8.3 m-90 -93.75 143.95 25.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 108.01 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 58.17 160.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 1.4 m-20 -146.36 -172.27 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -138.07 -55.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.05 -3.11 14.41 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.73 -19.98 22.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.753 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 70' ' ' THR . 1.4 t -124.82 94.76 43.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 57.94 4.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.18 -45.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.83 176.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 63' ' ' TYR . 2.6 p -142.86 64.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 9.2 p-10 -40.3 99.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' TYR . . . -75.49 -20.76 58.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.27 -26.11 21.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.28 45.44 96.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.17 153.56 26.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 83' ' ' ALA . 11.0 p-10 -69.16 119.02 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 33.2 m -46.83 -28.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.317 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -37.41 71.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 80' ' ' ASN . . . -57.85 -20.98 40.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 mt -94.15 6.53 48.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.402 HD11 ' CG2' ' A' ' 43' ' ' THR . 0.1 OUTLIER -136.74 34.75 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -113.22 -157.32 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 110.376 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -59.11 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -71.88 118.52 14.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.55 HG22 ' CE2' ' A' ' 3' ' ' TYR . 15.4 pt -81.1 1.79 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.4 t -40.96 -36.84 0.71 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.575 1.172 . . . . 0.0 110.448 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.59 -43.77 53.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -60.02 -37.86 80.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.424 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 10.6 mt -73.76 -52.15 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 1.5 tt0 -57.29 -45.9 83.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.9 t -68.64 -45.43 71.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 108.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -49.36 -51.33 35.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 7.9 pttt -69.86 -40.49 75.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.505 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 18.6 ttt180 -62.83 -22.34 66.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 24.1 t -88.81 -57.63 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.72 -24.76 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 101' ' ' ARG . 5.0 mtp-105 -60.53 -13.15 12.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -61.25 169.77 2.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 49.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.31 -86.6 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 107' ' ' ARG . . . 127.11 168.05 12.45 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.47 ' CD1' HD21 ' A' ' 31' ' ' LEU . 2.4 mm -39.91 -29.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 106' ' ' ILE . 3.9 tmt_? -33.77 -36.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 106' ' ' ILE . . . -40.24 -37.09 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.492 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 24.1 m-90 -96.14 65.58 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.026 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 113' ' ' ARG . 73.7 t -40.1 -30.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -45.27 -49.52 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.486 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -57.49 -39.0 75.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 108.051 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.486 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 32.2 ttt-85 -61.7 -15.31 39.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.85 31.49 5.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.52 -46.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.78 -53.39 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -71.24 56.98 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -146.84 -60.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 -169.91 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -93.17 101.32 13.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -96.3 15.19 21.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.21 -24.88 61.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -69.65 -13.21 62.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.529 ' CE2' ' HG3' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -77.55 -30.82 52.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.2 pt -89.7 -41.19 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -72.62 101.26 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.0 OUTLIER 160.67 -25.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.381 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -25.81 62.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.62 30.82 3.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.368 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 52.0 t -103.93 134.77 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.85 ' CE1' ' CG ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -151.73 139.5 19.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 5' ' ' ARG . 12.4 pt-20 -111.66 160.78 16.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -35.26 -59.15 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 7' ' ' GLU . 79.7 m -50.35 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.6 mm-40 -30.67 -66.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.359 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.85 ' CG ' ' CE1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -44.36 -53.68 6.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.69 51.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -54.46 -59.15 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 15' ' ' ASN . 20.1 m -52.04 -55.22 22.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.098 . . . . 0.0 110.362 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -54.08 10.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -64.51 -27.47 68.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -78.47 -22.42 47.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 11' ' ' THR . 7.7 t30 -88.95 -40.39 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.54 38.76 1.06 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.573 ' HE2' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -120.17 -35.49 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' CB ' HD12 ' A' ' 25' ' ' LEU . . . -52.1 102.24 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 90.29 34.98 7.72 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.573 ' CD1' ' HE2' ' A' ' 17' ' ' MET . 25.9 t80 -47.49 177.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.35 -59.33 0.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.401 1.063 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.44 -63.72 0.49 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.646 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 12.6 t -45.58 125.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 t -90.25 144.09 26.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.165 . . . . 0.0 110.014 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 18' ' ' ALA . 15.9 tp -45.85 -44.53 14.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.33 89.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 61.2 m-20 -64.7 -37.78 88.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.646 ' CE2' ' CG1' ' A' ' 23' ' ' VAL . 25.3 m95 -63.94 -60.31 3.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' GLN . 17.3 t -52.4 -60.33 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.487 ' CB ' HD12 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -48.98 -45.46 42.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.338 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 106' ' ' ILE . 18.5 tp -58.13 -66.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.499 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -51.34 -27.5 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -68.74 -52.77 27.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.423 ' CD2' ' CG ' ' A' ' 115' ' ' HIS . 0.6 OUTLIER -73.11 -20.21 60.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.59 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' A' ' 109' ' ' TRP . 4.2 mm-40 -73.59 -61.91 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.75 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.598 ' OD1' ' CE1' ' A' ' 3' ' ' TYR . 14.4 t-20 71.63 170.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 3' ' ' TYR . 55.3 m-85 60.57 -115.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -87.18 131.5 34.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.445 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 17.8 p -82.77 60.77 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' THR . 2.3 ttt-85 -92.29 -5.23 52.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.42 93.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.478 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 11.6 p -139.84 135.75 33.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.13 99.02 2.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -88.94 149.32 23.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 51' ' ' SER . 79.0 m-20 -161.39 100.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -77.72 -30.34 51.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 110.388 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.94 -33.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.3 t0 -135.49 33.39 3.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 0.757 . . . . 0.0 109.377 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER 35.53 51.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.529 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 50.0 p -138.54 147.82 43.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 60' ' ' ASN . 1.2 m -139.82 133.22 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.88 101.59 10.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.669 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -153.55 166.01 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 110.987 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.59 159.18 10.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.564 1.165 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.571 HG22 ' CD2' ' A' ' 57' ' ' PHE . 10.7 tp -51.97 -35.79 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.571 ' CD2' HG22 ' A' ' 56' ' ' ILE . 63.1 m-85 -109.69 26.35 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 42.09 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.1 mt -118.44 152.05 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.7 OUTLIER -88.52 133.58 34.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t -90.54 6.17 44.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.954 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.529 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 36.9 ttt-85 -88.82 -14.85 36.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.45 -39.52 1.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.689 ' CZ3' ' CB ' ' A' ' 76' ' ' ALA . 88.6 m95 -106.5 158.68 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 58.8 158.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 108.282 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.486 ' HB2' ' CB ' ' A' ' 75' ' ' ASN . 2.3 t-20 -135.92 -170.99 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 27.5 t0 -132.16 -46.39 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.11 -2.54 55.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -120.69 -1.03 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.583 0.813 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -128.2 90.16 47.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.423 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.72 4.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.778 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.62 -59.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.81 161.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.1 62.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.486 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 5.3 p-10 -49.06 101.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.689 ' CB ' ' CZ3' ' A' ' 64' ' ' TRP . . . -86.69 -10.6 53.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.0 t -89.31 -38.48 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.01 57.69 7.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.449 HG12 ' N ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -147.75 165.26 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.578 0.811 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.449 ' N ' HG12 ' A' ' 79' ' ' ILE . 11.4 m-80 -74.3 121.04 20.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.458 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 8.3 m -49.83 -37.89 32.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 108.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -54.59 -22.68 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.06 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.3 -14.74 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.669 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 20.8 mt -101.27 12.51 37.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.62 13.24 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -96.88 -170.53 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -84.25 -72.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -47.37 133.23 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 92' ' ' ALA . 16.0 pt -92.58 0.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.3 t -45.24 -40.77 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.56 -37.71 77.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.454 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -63.58 -39.32 94.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.472 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 32.6 mt -70.75 -51.72 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -54.69 -49.49 70.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.5 OUTLIER -67.39 -40.95 85.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -51.26 -50.03 60.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 94' ' ' GLN . 2.8 pttt -69.04 -45.66 69.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 7.5 ttt85 -60.3 -22.67 63.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 7.8 t -85.66 -56.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.4 t -58.1 -25.18 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -20.31 22.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -71.9 177.17 1.8 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.4 Cg_endo -75.0 0.43 8.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.25 -61.5 1.89 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 106' ' ' ILE . . . 80.38 152.57 8.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 31' ' ' LEU . 1.3 mm -40.07 -34.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.54 -37.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.07 -36.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.408 ' C ' ' N ' ' A' ' 111' ' ' ALA . 21.6 m-90 -95.47 62.69 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 113' ' ' ARG . 36.4 t -41.63 -28.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -46.86 -50.31 18.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -36.28 69.47 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -68.16 -14.63 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.02 31.02 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.423 ' CG ' ' CD2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -149.83 -44.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 109.615 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -54.87 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 108.353 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -17.76 7.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -57.61 -67.25 0.35 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -136.98 -158.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -91.34 105.62 17.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.487 HD12 ' CB ' ' A' ' 30' ' ' CYS . 1.2 tm? -97.46 17.07 18.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.7 t -75.59 -28.69 59.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -63.02 -12.51 26.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.44 ' CB ' HD11 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -76.28 -30.0 57.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 128' ' ' CYS . 7.7 pt -95.16 -35.22 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 7.5 tpm_? -74.2 122.07 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 8.0 t-20 78.86 24.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -88.07 -28.6 21.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.311 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 109.35 36.11 2.17 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.552 1.157 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.325 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 68.1 t -112.49 105.23 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.618 ' CE2' HG22 ' A' ' 89' ' ' ILE . 7.2 m-30 -105.62 100.61 10.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.409 ' HG2' ' HB2' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -94.15 152.59 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.415 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 11.3 ptt-85 -46.11 -58.82 3.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -46.57 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -33.09 -65.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.636 ' CE1' ' CD1' ' A' ' 12' ' ' LEU . 32.5 t80 -45.66 -52.5 10.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.67 -52.44 63.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -51.2 -64.39 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.536 ' O ' ' N ' ' A' ' 15' ' ' ASN . 18.1 m -46.11 -52.94 11.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.636 ' CD1' ' CE1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -48.31 -60.31 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -59.37 -24.86 63.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -84.12 -19.95 33.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 11' ' ' THR . 3.7 t-20 -88.92 -41.99 12.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.81 33.05 1.61 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.484 ' HE2' ' CE1' ' A' ' 20' ' ' TYR . 11.0 mmt -116.59 -36.19 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.544 ' CB ' ' CD2' ' A' ' 25' ' ' LEU . . . -52.16 111.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.44 34.37 14.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.484 ' CE1' ' HE2' ' A' ' 17' ' ' MET . 2.4 t80 -53.73 -172.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 0.813 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -36.23 -31.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -155.11 -62.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.487 ' CG1' HG13 ' A' ' 106' ' ' ILE . 6.2 m -51.87 107.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.205 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.1 m -90.87 170.07 10.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 110.045 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.544 ' CD2' ' CB ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -50.26 -29.73 10.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.32 -52.51 61.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.641 ' HA ' ' CZ3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -64.74 -34.78 79.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.562 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 91.6 m95 -68.46 -60.82 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.002 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.1 t -55.16 -55.45 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 33' ' ' GLN . 18.0 t -50.01 -55.7 13.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 108.324 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.591 ' CD1' ' CE3' ' A' ' 109' ' ' TRP . 2.8 tt -48.43 -46.86 38.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.62 -29.53 70.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.403 ' HA ' ' HB2' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -68.13 -52.15 37.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.242 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.549 ' CD2' ' HB3' ' A' ' 111' ' ' ALA . 1.1 t-80 -59.23 -25.81 64.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.5 -60.49 2.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' ASN . 25.2 t -175.69 -50.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 39' ' ' ASN . 6.9 t30 47.87 -173.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' TYR . 3.0 m-85 62.38 -59.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.4 m120 -122.95 142.95 50.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.602 HG21 ' CE1' ' A' ' 3' ' ' TYR . 1.2 p -101.95 16.15 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.3 tpm_? -60.59 -14.91 22.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.02 96.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ARG . 12.0 p -141.41 133.58 27.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -150.47 97.03 2.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -89.45 158.18 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -161.82 104.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.3 OUTLIER -75.11 -30.8 60.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.25 -36.79 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.409 1.068 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -141.51 32.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ASP . 20.4 tp60 35.58 61.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.524 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 76.9 p -141.11 111.98 7.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 61' ' ' SER . 88.2 m -108.98 129.75 55.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -113.21 113.09 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -152.66 169.31 23.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.56 152.36 10.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.511 HD12 ' CB ' ' A' ' 3' ' ' TYR . 13.1 tt -54.29 -33.06 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.4 ' CE1' ' CZ ' ' A' ' 8' ' ' PHE . 4.1 m-85 -95.99 10.18 38.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 47.03 84.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 52.5 mt -113.87 147.82 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.183 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' OD1' ' CG ' ' A' ' 53' ' ' ASP . 1.4 m120 -91.43 139.15 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 52' ' ' THR . 3.0 t -92.3 2.64 56.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.524 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -87.51 -15.3 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -122.13 -32.94 3.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.517 ' CD1' HG22 ' A' ' 99' ' ' VAL . 32.6 m-90 -120.05 167.19 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.441 ' SG ' ' OH ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 59.46 156.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 75' ' ' ASN . 1.8 t-20 -143.34 -164.21 1.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 16.8 t0 -144.59 -54.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.5 -0.2 26.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.439 1.087 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -115.85 -6.19 12.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -124.42 95.13 43.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 57.1 4.5 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.17 -65.66 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.34 134.86 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.368 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 76' ' ' ALA . 11.9 p -98.27 62.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.462 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 14.3 p-10 -48.56 94.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.68 -10.84 59.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.0 t -89.82 -40.04 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 108.259 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 69.3 58.87 6.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -149.87 170.46 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 0.794 . . . . 0.0 109.285 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -75.88 123.01 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.14 -37.56 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 108.391 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -26.63 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -17.42 41.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 1.1 mp -99.13 15.94 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 tp -137.36 21.64 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -104.64 -167.15 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.81 -75.25 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.14 122.93 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.618 HG22 ' CE2' ' A' ' 3' ' ' TYR . 5.7 pt -79.08 -2.72 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.6 t -44.61 -36.06 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.48 -38.73 65.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -63.32 -38.43 91.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.447 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 12.4 mt -73.35 -51.56 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 41.9 tt0 -52.51 -46.72 66.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.75 -48.18 55.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.3 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -48.23 -43.92 32.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 15.6 ptpt -75.31 -41.22 57.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.509 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -61.97 -23.99 66.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 64' ' ' TRP . 41.1 t -90.13 -57.39 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.0 t -56.17 -26.05 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -19.73 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.497 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -74.27 177.55 2.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -74.92 1.82 7.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.57 -64.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.16 158.98 30.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.569 HD12 ' CE3' ' A' ' 109' ' ' TRP . 1.0 OUTLIER -47.5 -24.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 2.8 ttp180 -42.22 -33.59 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.03 -32.7 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.591 ' CE3' ' CD1' ' A' ' 31' ' ' LEU . 13.9 m-90 -96.55 47.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 113' ' ' ARG . 24.9 t -40.11 -28.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.118 . . . . 0.0 109.384 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.549 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . . . -41.49 -51.22 3.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.674 ' CE3' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.93 -42.96 85.93 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -68.15 -8.53 39.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.89 33.22 4.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.5 OUTLIER -153.25 -51.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.677 ' O ' ' N ' ' A' ' 118' ' ' ASN . 0.2 OUTLIER -88.92 -47.18 8.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.26 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.27 61.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.677 ' N ' ' O ' ' A' ' 116' ' ' CYS . 2.6 t-20 -155.45 -44.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 -169.58 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.49 101.33 12.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.514 ' CD2' ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -98.17 18.36 16.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 m -72.93 -18.11 61.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -76.79 -10.25 59.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -30.04 59.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 25' ' ' LEU . 8.9 pt -98.77 -43.07 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.419 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -61.15 104.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.8 OUTLIER 162.42 -27.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -25.08 61.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.89 31.37 2.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.566 0.803 . . . . 0.0 109.375 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.583 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 9.2 t -129.15 133.8 65.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 38.9 m-85 -160.22 116.25 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 5' ' ' ARG . 2.3 pm0 -96.52 170.24 9.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -34.8 -58.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 7' ' ' GLU . 71.8 m -51.87 -78.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 6' ' ' CYS . 4.1 mt-10 -32.39 -65.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.596 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -41.84 -54.96 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 111.069 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.5 -53.59 49.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' N ' HG23 ' A' ' 130' ' ' VAL . 16.2 ttp180 -51.52 -57.47 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.5 m -54.42 -53.2 57.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.426 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD23 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -47.01 -52.07 15.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -66.52 -29.99 70.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -74.09 -25.05 59.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.4 -39.39 13.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.17 45.59 0.74 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.477 ' HE3' ' CG2' ' A' ' 93' ' ' ILE . 4.8 tpp -125.1 -39.18 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.27 109.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.65 34.69 27.47 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.061 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' TYR . 7.3 t80 -50.38 -176.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -34.53 -49.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.18 -61.8 0.14 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.585 HG11 ' CD1' ' A' ' 28' ' ' TRP . 46.4 t -41.11 127.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.597 0.822 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.21 154.06 20.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.79 -45.75 91.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -56.35 -45.17 80.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 46.1 m-20 -68.33 -33.58 74.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.585 ' CD1' HG11 ' A' ' 23' ' ' VAL . 2.5 m95 -60.87 -55.04 37.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 107.959 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.5 t -60.14 -53.37 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 121' ' ' LEU . 0.5 OUTLIER -53.12 -47.96 68.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' CD1' ' CD1' ' A' ' 106' ' ' ILE . 5.8 tt -53.94 -52.32 60.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -63.98 -26.2 68.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.04 -53.59 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -62.09 -28.01 69.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -74.07 -56.27 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.07 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.94 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 8' ' ' PHE . 2.2 t30 53.89 -164.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.43 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.5 ' N ' ' O ' ' A' ' 3' ' ' TYR . 22.8 m-85 56.77 -113.76 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -88.43 137.63 32.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.9 p -84.83 54.63 3.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.37 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -98.62 -44.59 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.219 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.506 ' CB ' ' HA3' ' A' ' 55' ' ' GLY . . . -39.54 102.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -133.73 139.34 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.412 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ASP . 1.6 t-20 -128.76 88.64 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.4 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 1.0 OUTLIER -94.02 159.42 15.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -161.68 104.34 1.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -77.72 -32.91 53.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -44.06 -46.73 8.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -115.27 24.81 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.336 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' ASP . 1.5 tp-100 36.42 61.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.486 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 72.8 m -148.32 147.3 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.431 ' CG2' ' N ' ' A' ' 53' ' ' ASP . 1.7 m -136.56 166.75 22.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -142.63 126.11 16.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.622 ' O ' ' N ' ' A' ' 58' ' ' GLN . 64.0 m-85 -88.07 116.48 26.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.577 ' O ' ' N ' ' A' ' 57' ' ' PHE . . . -60.32 -49.49 78.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.568 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.8 tp -26.99 -41.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -148.09 29.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.622 ' N ' ' O ' ' A' ' 54' ' ' TYR . 6.3 tp-100 37.25 53.06 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' TYR . 37.8 mt -101.37 134.37 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -77.26 128.98 35.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.514 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -90.84 4.3 52.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 110.048 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.23 -27.08 22.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -112.06 -31.84 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 29.1 m-90 -109.87 152.99 25.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.474 ' CB ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.79 143.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.291 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.471 ' CG ' ' N ' ' A' ' 67' ' ' ASP . 11.8 t30 -80.28 -95.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 9.9 t0 173.45 -46.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.96 2.49 80.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -137.8 -46.73 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.753 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -106.47 103.49 46.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 55.29 3.96 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -54.48 2.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.62 138.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.3 p -90.69 62.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.443 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 27.2 p-10 -38.96 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -90.08 -15.09 32.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.148 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 8.5 t -89.98 -26.0 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.445 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 68.56 55.86 11.07 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.474 1.109 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -150.86 163.09 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 0.772 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 7.0 m-80 -76.59 126.64 31.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.418 ' SG ' ' C ' ' A' ' 66' ' ' ASN . 18.9 m -50.85 -44.2 59.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 108.266 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 0.6 OUTLIER -54.04 -26.53 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.064 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 80' ' ' ASN . . . -62.38 -15.42 48.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' CD1' ' CE2' ' A' ' 54' ' ' TYR . 1.3 mt -105.34 14.84 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tp -137.32 28.56 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 82' ' ' SER . 6.9 mt-30 -109.84 -155.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -91.0 -73.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -51.65 142.13 15.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ALA . 6.0 pt -98.38 5.21 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 91' ' ' ALA . 10.1 t -42.92 -36.13 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 90' ' ' THR . . . -72.11 -42.6 65.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -60.23 -40.55 90.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.477 ' CG2' ' HE3' ' A' ' 17' ' ' MET . 8.5 mt -70.49 -50.08 48.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 10.4 tt0 -55.73 -46.05 77.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -69.02 -40.47 78.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 108.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.23 -47.46 72.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 16.4 pttt -70.39 -44.06 68.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.444 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 4.0 tpt180 -63.55 -23.11 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.347 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.508 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 52.6 t -84.13 -58.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -29.59 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -54.41 -24.16 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -72.05 178.32 1.38 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.0 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.584 1.834 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.41 ' O ' ' NH1' ' A' ' 107' ' ' ARG . 9.0 mm-40 -68.78 -61.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.453 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 79.73 162.63 25.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.607 HG21 ' CZ3' ' A' ' 112' ' ' TRP . 1.3 mm -40.92 -28.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.453 ' N ' ' C ' ' A' ' 105' ' ' GLY . 6.8 ttp-105 -40.48 -38.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.66 -38.51 2.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 110' ' ' VAL . 30.7 m-90 -93.31 50.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.014 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 109' ' ' TRP . 11.7 p -34.53 -36.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -42.27 -57.1 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.644 ' C ' ' CD1' ' A' ' 112' ' ' TRP . 0.7 OUTLIER -52.62 -56.97 11.61 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -46.08 -20.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 112' ' ' TRP . . . -130.77 37.08 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 11.5 t60 -151.65 -51.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.613 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.638 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.02 -50.08 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 108.285 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -68.58 58.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 116' ' ' CYS . 9.4 t-20 -145.25 -52.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -129.35 -171.7 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.203 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.97 100.52 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.482 ' CD2' ' HB2' ' A' ' 30' ' ' CYS . 1.4 tp -103.75 22.25 14.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.01 -24.54 60.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.059 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.79 -11.86 59.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -75.68 -31.4 59.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.438 ' CG2' ' HA ' ' A' ' 26' ' ' ALA . 1.9 pt -100.73 -30.63 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -77.7 125.57 29.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.369 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 5.1 t-20 75.87 24.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -83.05 -34.31 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 108.235 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.71 35.43 1.27 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 10' ' ' ARG . 7.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.641 HG13 ' C ' ' A' ' 38' ' ' TYR . 41.3 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' TYR . 14.6 m-85 -140.84 131.66 25.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' ARG . 9.2 pt-20 -118.03 165.98 13.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -36.03 -66.32 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -48.09 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.319 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -33.73 -67.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.984 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -41.6 -50.91 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -56.03 -55.23 35.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -51.0 -57.93 7.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.3 m -51.27 -55.66 17.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.777 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -46.72 -54.16 10.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -64.93 -26.24 68.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.0 tpt85 -78.89 -23.37 44.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.4 t-20 -89.42 -40.43 12.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.83 41.34 1.45 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.75 -38.49 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.859 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -52.04 109.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 102.15 21.71 10.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' TYR . 4.4 t80 -43.31 168.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -34.95 -48.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.61 -56.71 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.769 HG11 ' CE2' ' A' ' 28' ' ' TRP . 5.5 t -53.34 116.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -90.41 145.06 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.043 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.859 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 12.1 tp -43.19 -47.93 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.69 85.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 48.2 m-20 -64.21 -37.45 87.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.769 ' CE2' HG11 ' A' ' 23' ' ' VAL . 24.6 m95 -63.69 -57.15 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 107.983 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.668 HG21 HG22 ' A' ' 125' ' ' ILE . 39.6 t -52.03 -62.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -46.98 -47.13 21.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 106' ' ' ILE . 5.4 tt -59.83 -67.52 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.098 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.984 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -43.73 -29.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -72.18 -52.91 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.756 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 5.1 t-80 -61.12 -22.23 64.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.536 ' OE1' ' CD1' ' A' ' 109' ' ' TRP . 15.0 mm-40 -74.68 -65.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 158.29 62.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.553 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 8.1 t-20 -58.7 -150.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.641 ' C ' HG13 ' A' ' 2' ' ' VAL . 25.0 m-85 72.66 -125.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.063 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' ARG . 2.7 p30 -84.74 142.32 29.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 p -70.03 58.55 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 39' ' ' ASN . 4.0 tpt180 -113.79 4.65 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.16 91.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 1.039 HG22 ' CD2' ' A' ' 54' ' ' TYR . 1.9 p -142.38 122.28 13.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.39 99.56 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.715 ' HA ' HG23 ' A' ' 52' ' ' THR . 1.1 p90 -89.36 159.5 17.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 51' ' ' SER . 29.1 m120 -162.77 104.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' GLY . 5.2 ttt85 -75.58 -32.9 60.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -37.59 -41.33 0.82 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -122.93 30.93 6.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ASP . 1.9 tt0 35.14 47.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 79.8 p -138.51 149.54 45.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.76 HG22 ' CD1' ' A' ' 54' ' ' TYR . 7.6 m -141.57 131.83 24.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -101.02 98.91 9.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 1.039 ' CD2' HG22 ' A' ' 43' ' ' THR . 4.5 m-85 -127.02 157.65 39.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' GLN . . . 101.8 143.61 13.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.442 HD11 ' OD1' ' A' ' 37' ' ' ASN . 13.8 tt -50.61 -32.82 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.442 ' CZ ' ' CZ ' ' A' ' 8' ' ' PHE . 14.6 m-85 -89.94 22.46 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 37.51 69.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.8 mt -96.14 134.53 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.242 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -80.31 132.72 35.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -89.84 10.85 22.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.506 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -88.08 -2.29 58.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -151.98 -44.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.525 ' NE1' HG13 ' A' ' 99' ' ' VAL . 5.2 m-90 -96.29 156.33 16.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.759 ' HA ' HD13 ' A' ' 79' ' ' ILE . 1.4 p 52.42 176.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.54 -169.3 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -150.37 -51.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.14 -0.77 22.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -14.73 26.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -125.8 94.99 40.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 58.98 5.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.96 -45.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.83 159.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 74' ' ' VAL . 6.3 p -122.08 54.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' VAL . 17.9 p-10 -39.32 100.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -79.99 -18.05 51.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.668 ' HB3' HD12 ' A' ' 79' ' ' ILE . 1.8 t -89.49 -32.79 17.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.438 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.51 53.66 30.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.759 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -150.92 163.23 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -75.23 124.03 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.605 ' HA ' HD12 ' A' ' 84' ' ' LEU . 52.3 m -50.21 -32.66 17.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.6 t -58.17 -32.38 68.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.17 -18.25 24.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.1 mt -99.98 11.2 39.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.918 HD11 ' CG2' ' A' ' 43' ' ' THR . 0.0 OUTLIER -124.59 20.68 8.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -90.74 -162.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.36 -51.13 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -76.98 132.49 39.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 92' ' ' ALA . 9.1 pt -85.1 2.73 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.66 -37.44 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.18 63.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.638 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.29 -40.09 95.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.28 -50.88 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.46 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -56.46 -47.3 79.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.539 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.8 t -68.61 -45.22 72.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.09 -48.81 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -70.59 -42.49 70.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.504 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 7.7 tpt180 -61.64 -22.35 65.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 95' ' ' CYS . 51.7 t -88.25 -57.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.7 t -56.89 -26.97 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -53.4 -19.22 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.473 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -79.29 176.69 3.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.4 Cg_endo -74.96 1.53 7.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.534 1.807 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -69.79 -63.86 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.25 163.33 28.15 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.836 HD12 HD13 ' A' ' 31' ' ' LEU . 3.9 mm -39.68 -31.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 0.735 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 105' ' ' GLY . 9.7 tpt180 -38.46 -38.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.0 -36.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.593 ' CE3' HD11 ' A' ' 31' ' ' LEU . 24.4 m-90 -94.16 60.26 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 107.964 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 113' ' ' ARG . 15.0 p -42.64 -27.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.756 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -48.09 -49.72 30.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.493 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.12 -30.36 64.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 107.968 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.491 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -69.43 -15.26 63.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.79 31.13 5.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.143 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.73 -44.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -88.72 -55.68 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 55.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -141.57 -57.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.64 -170.19 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -85.7 101.55 12.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.806 ' O ' HD13 ' A' ' 121' ' ' LEU . 1.2 tm? -90.1 9.71 27.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 m -75.74 -25.41 56.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.963 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.4 -15.85 63.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -38.06 33.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.668 HG22 HG21 ' A' ' 29' ' ' VAL . 3.3 pt -90.34 -32.72 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 2.0 ttm180 -70.02 99.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.4 m-20 161.27 -26.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -24.57 60.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 105.59 31.39 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 38' ' ' TYR . 60.4 t . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 38' ' ' TYR . 2.4 m-85 -156.07 117.53 3.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -106.97 171.63 7.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -43.77 -55.05 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 7' ' ' GLU . 1.1 m -55.38 -76.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 108.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 6' ' ' CYS . 6.6 mm-40 -36.09 -65.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 32' ' ' ALA . 45.7 t80 -45.66 -48.85 14.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.27 59.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -53.35 -56.03 20.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' ASN . 7.3 m -52.4 -55.03 24.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -49.02 -50.48 35.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -65.11 -28.96 69.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -78.57 -24.32 45.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -89.52 -40.05 12.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.82 46.52 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.35 -39.37 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.565 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -52.14 110.54 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.05 28.02 35.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' TYR . 53.8 t80 -48.6 177.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' TYR . 1.4 m-85 -35.37 -54.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.37 -61.42 0.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.611 1.195 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.6 t -47.73 119.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -88.76 146.1 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.565 HD13 ' CB ' ' A' ' 18' ' ' ALA . 9.9 tp -42.8 -49.39 5.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HA ' HG21 ' A' ' 125' ' ' ILE . . . -58.54 -41.52 85.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' SER . 19.0 m-20 -63.51 -36.49 83.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.707 ' CE2' HG11 ' A' ' 23' ' ' VAL . 24.5 m95 -65.69 -57.46 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.011 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.746 HG21 HG22 ' A' ' 125' ' ' ILE . 41.3 t -55.55 -58.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.874 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -48.53 -47.13 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 108.347 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.739 HD13 ' C ' ' A' ' 31' ' ' LEU . 1.6 tm? -58.2 -56.35 23.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . . . -58.74 -23.0 59.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tt0 -75.29 -53.95 7.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.812 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 13.1 t-80 -57.96 -27.0 63.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.655 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.1 mm-40 -74.34 -61.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 159.39 60.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.753 ' HA ' HD11 ' A' ' 56' ' ' ILE . 38.0 p-10 -57.64 -158.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.799 ' O ' HG13 ' A' ' 2' ' ' VAL . 23.6 m-85 67.19 -58.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' ASN . 16.0 t-20 -121.58 155.54 34.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 t -133.91 40.56 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -105.77 4.11 29.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 54' ' ' TYR . . . -43.34 114.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -145.39 128.58 16.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.2 m-20 -147.41 97.14 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.424 ' OH ' ' CD1' ' A' ' 85' ' ' LEU . 23.0 m-85 -89.53 151.39 21.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' SER . 20.5 m120 -162.13 104.63 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.22 -32.55 29.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.45 -43.89 1.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' GLN . 25.0 t0 -121.18 31.06 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' ASP . 9.1 tp-100 34.09 56.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' ASN . 28.3 p -143.48 151.38 40.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.472 HG22 ' CD2' ' A' ' 54' ' ' TYR . 1.5 m -145.97 156.24 43.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 0.0 110.456 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ASN . 71.6 m-20 -140.07 117.69 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.606 ' HE1' HD13 ' A' ' 84' ' ' LEU . 2.0 p90 -150.91 168.3 24.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.25 146.7 18.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.788 HG23 ' HD1' ' A' ' 57' ' ' PHE . 18.7 tt -52.49 -30.61 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.788 ' HD1' HG23 ' A' ' 56' ' ' ILE . 5.3 m-85 -92.03 17.88 8.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER 37.83 74.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -100.38 140.4 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.458 ' ND2' ' CE3' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -90.01 137.0 32.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.417 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 1.1 t -92.28 11.46 25.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -33.18 19.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.544 ' HA ' HG13 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -115.26 -22.11 9.58 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.458 ' CE3' ' ND2' ' A' ' 60' ' ' ASN . 3.1 m-90 -114.05 167.88 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 107.975 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.753 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 59.33 159.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 108.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -127.79 -178.42 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -157.04 -47.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.67 -0.77 89.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -97.63 -13.53 21.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 70' ' ' THR . 3.2 t -131.0 107.53 15.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 61.82 5.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.33 -53.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.312 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.03 156.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 74' ' ' VAL . 2.4 p -129.61 60.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' ASN . 23.6 p-10 -39.93 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -90.4 -14.03 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.574 ' HB3' HD12 ' A' ' 79' ' ' ILE . 7.8 t -89.56 -32.38 17.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.45 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 71.93 55.05 7.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.753 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -150.99 155.86 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.412 0.713 . . . . 0.0 109.267 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -72.3 127.18 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.533 ' HA ' HD12 ' A' ' 84' ' ' LEU . 70.3 m -48.16 -37.87 16.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.3 p -56.48 -34.24 66.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -58.43 -24.28 59.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 79' ' ' ILE . 1.1 mt -96.06 9.4 40.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.424 ' CD1' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -121.72 23.27 10.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.55 -165.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.36 -73.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.21 145.28 14.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.482 HG12 ' CZ ' ' A' ' 3' ' ' TYR . 5.8 pt -84.07 5.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -43.37 -36.47 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.77 62.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.52 -38.01 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 10.1 mt -74.38 -52.04 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 22.1 tt0 -55.54 -44.64 76.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' VAL . 4.0 t -70.37 -47.43 60.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -48.35 -45.44 35.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 20.1 pttt -73.28 -42.98 61.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.54 -22.57 66.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.245 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' CYS . 44.9 t -88.22 -57.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.36 -24.9 25.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -57.89 -16.7 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.501 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -81.46 177.75 2.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.1 Cg_endo -75.04 1.78 7.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -69.78 -62.27 1.45 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.65 160.0 22.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.57 1.169 . . . . 0.0 110.97 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.586 HD13 ' CE3' ' A' ' 109' ' ' TRP . 2.8 mm -43.74 -27.12 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.434 ' N ' ' C ' ' A' ' 105' ' ' GLY . 17.1 ttm180 -38.31 -39.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.22 -37.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.387 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.586 ' CE3' HD13 ' A' ' 106' ' ' ILE . 24.2 m-90 -94.34 62.34 2.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 107.959 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' ARG . 13.9 p -43.25 -27.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.812 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -47.63 -47.78 28.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -61.42 -33.32 73.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.493 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 3.1 tmm_? -64.45 -15.71 61.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -126.62 32.02 5.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.99 -45.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.615 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -88.95 -55.18 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.069 . . . . 0.0 108.292 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.402 ' OE1' ' CA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -72.65 56.14 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -147.75 -65.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -119.38 -171.27 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -91.49 97.93 11.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.874 HD12 ' HB3' ' A' ' 30' ' ' CYS . 1.4 tm? -92.22 13.02 20.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 -26.28 59.81 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -62.76 -15.35 53.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.63 -37.86 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.746 HG22 HG21 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -90.95 -33.14 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 0.0 109.238 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.421 ' N ' HG13 ' A' ' 125' ' ' ILE . 13.0 tpt180 -77.7 104.37 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 162.55 -27.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -23.95 59.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 108.365 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 106.55 32.96 3.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -138.93 115.96 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -100.97 168.4 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.265 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.718 ' HA ' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -41.58 -54.85 3.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -53.21 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -36.75 -65.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.785 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -45.19 -47.99 12.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.64 55.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.591 1.182 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -50.67 -56.55 11.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 15' ' ' ASN . 8.4 m -52.65 -56.61 14.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.434 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -46.0 -53.8 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -64.87 -27.49 68.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -76.33 -26.47 55.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.2 t30 -89.86 -42.24 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.94 55.65 0.47 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mmm -131.06 -40.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 0.724 . . . . 0.0 111.039 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -47.55 113.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.95 29.03 24.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.436 1.085 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' TYR . 9.3 t80 -48.43 178.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.398 0.705 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -35.63 -48.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.2 -61.36 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.733 HG11 ' CE2' ' A' ' 28' ' ' TRP . 12.2 t -43.99 120.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.534 0.785 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.54 150.7 21.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.712 ' HG ' HG21 ' A' ' 125' ' ' ILE . 10.0 tp -49.19 -43.74 42.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.84 87.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.592 ' OD1' ' CH2' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -67.8 -33.75 75.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.181 . . . . 0.0 109.327 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.733 ' CE2' HG11 ' A' ' 23' ' ' VAL . 16.9 m95 -67.99 -59.47 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.805 HG21 HG22 ' A' ' 125' ' ' ILE . 43.2 t -55.21 -57.26 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.629 ' HB2' HD22 ' A' ' 121' ' ' LEU . 8.8 t -51.74 -45.74 63.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.423 1.077 . . . . 0.0 108.226 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.652 ' CD1' ' CG ' ' A' ' 109' ' ' TRP . 14.8 tp -52.05 -62.05 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.785 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -55.93 -29.18 59.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -53.54 19.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.616 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 3.5 t-80 -64.59 -28.59 69.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.574 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' SER . 10.8 mm-40 -71.39 -59.45 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.639 1.212 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER 160.29 51.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.607 ' O ' ' N ' ' A' ' 39' ' ' ASN . 25.6 p-10 -61.07 -151.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.168 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.511 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.9 OUTLIER 61.24 -63.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 111.011 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.607 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.6 m120 -104.02 140.86 37.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.547 HG22 HD12 ' A' ' 56' ' ' ILE . 36.7 p -103.62 34.35 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -117.63 11.96 13.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.247 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB3' ' C ' ' A' ' 55' ' ' GLY . . . -44.91 104.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.053 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.902 HG22 ' CD2' ' A' ' 54' ' ' TYR . 6.7 p -148.96 122.77 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.3 m-20 -150.18 98.35 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.503 ' HA ' HG23 ' A' ' 52' ' ' THR . 15.7 p90 -88.75 159.76 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -163.56 106.07 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -74.99 -31.08 61.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.601 1.188 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -36.53 -37.88 0.24 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' GLN . 4.4 t0 -129.25 33.28 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.52 ' CG ' HG21 ' A' ' 70' ' ' THR . 0.0 OUTLIER 34.76 51.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.563 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 79.2 p -140.71 153.44 45.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.659 HG22 ' CD1' ' A' ' 54' ' ' TYR . 3.0 m -145.21 133.5 21.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 0.0 110.48 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' ASN . 23.5 m-20 -102.67 102.34 12.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.902 ' CD2' HG22 ' A' ' 43' ' ' THR . 4.0 m-85 -127.5 158.83 36.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.472 ' C ' ' HB3' ' A' ' 42' ' ' ALA . . . 98.88 146.8 21.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.547 HD12 HG22 ' A' ' 40' ' ' THR . 9.2 tt -52.39 -32.15 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.764 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 18.4 m-85 -90.12 22.45 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 36.96 66.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.2 mt -89.38 133.69 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.43 124.94 28.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 9.4 t -82.48 7.12 15.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.563 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.4 OUTLIER -88.18 11.96 15.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.085 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.485 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.03 -37.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 111.038 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.552 ' CZ3' ' HB3' ' A' ' 76' ' ' ALA . 69.7 m95 -116.22 167.22 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.833 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER 59.1 154.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 108.307 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.898 HD21 ' N ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -106.43 -172.75 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.898 ' N ' HD21 ' A' ' 66' ' ' ASN . 11.1 t0 -162.32 -45.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.19 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.6 2.12 59.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.103 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 0.1 31.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.52 HG21 ' CG ' ' A' ' 50' ' ' GLN . 1.3 m -143.96 106.06 4.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 55.73 4.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' ALA . 2.0 ttt-85 -150.81 -44.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -49.87 179.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -149.63 95.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 30.2 p-10 -67.95 62.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.418 1.073 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -60.13 -16.08 29.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.574 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.8 t -89.24 -32.71 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.453 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.44 51.32 37.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.608 1.193 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.833 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -151.29 118.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 0.793 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 82' ' ' SER . 9.1 m-20 -50.7 124.33 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.65 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -48.14 -27.33 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 80' ' ' ASN . 0.1 OUTLIER -57.85 -31.34 66.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.981 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.24 67.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -100.83 13.54 34.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.222 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.58 6.93 14.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 87' ' ' ASP . 23.8 pt20 -106.14 -157.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -90.73 -58.55 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.51 110.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ALA . 16.4 pt -82.67 3.2 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 t -45.13 -35.51 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.404 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.37 -38.23 65.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -64.51 -41.16 96.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.2 mt -71.34 -48.45 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.203 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -57.09 -49.56 75.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.551 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -68.6 -41.95 78.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -50.54 -50.46 53.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 17.2 pttt -71.22 -40.37 71.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.527 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.8 ttt85 -64.27 -20.87 66.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 95' ' ' CYS . 39.7 t -89.8 -57.61 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -30.78 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -25.58 6.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 110.254 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.496 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -73.99 177.76 1.95 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.96 1.13 8.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -67.96 -62.07 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 78.34 162.57 20.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.591 HD13 ' CE3' ' A' ' 109' ' ' TRP . 2.9 mm -44.21 -27.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.582 0.813 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -42.92 -36.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.196 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.81 -33.11 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.284 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.652 ' CG ' ' CD1' ' A' ' 31' ' ' LEU . 12.9 m-90 -97.65 43.9 1.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 113' ' ' ARG . 11.3 p -40.87 -27.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 109.256 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.616 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -45.21 -51.33 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.392 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.649 ' CE3' ' CB ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.13 -34.47 72.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 108.018 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 110' ' ' VAL . 6.9 ttt-85 -75.88 -11.46 59.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.7 30.32 5.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 1.6 t60 -151.87 -48.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.84 ' SG ' HD22 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -89.72 -57.67 2.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 108.268 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 116' ' ' CYS . 1.7 tm0? -37.67 -30.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 116' ' ' CYS . 2.0 t-20 -47.88 -55.8 9.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.06 -168.86 1.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -91.5 102.34 15.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.84 HD22 ' SG ' ' A' ' 116' ' ' CYS . 0.5 OUTLIER -96.61 18.73 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -20.76 62.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.49 -9.82 58.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 5' ' ' ARG . 1.1 t80 -74.59 -24.36 58.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.805 HG22 HG21 ' A' ' 29' ' ' VAL . 2.3 pt -106.51 -29.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -75.42 -0.15 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 124' ' ' TYR . 29.0 p30 -84.98 -22.15 29.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 127' ' ' ASN . 0.4 OUTLIER -74.57 -25.65 59.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 108.331 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 102.6 30.09 5.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.358 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.517 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 72.1 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.577 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 8.4 m-85 -156.81 121.08 4.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ARG . 12.6 pt-20 -102.41 165.83 10.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -38.62 -68.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -44.38 -72.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.318 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -35.14 -66.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.608 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -46.63 -49.98 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 6' ' ' CYS . . . -51.82 -52.84 46.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.4 1.063 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -58.18 -51.19 70.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ASN . 13.2 m -57.05 -54.67 44.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.08 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.679 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -50.77 -50.19 56.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.73 -28.83 69.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -79.49 -22.15 44.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.19 -38.9 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.85 44.28 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.465 ' HE2' HG23 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -125.5 -38.61 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.949 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.876 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -49.93 112.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.54 33.17 28.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' TYR . 25.7 t80 -49.43 179.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -36.18 -52.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.943 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.42 -59.36 0.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.821 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.1 t -48.64 122.39 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 109.21 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -90.42 141.28 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.876 HD22 ' HB1' ' A' ' 18' ' ' ALA . 3.9 tp -43.02 -48.61 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.58 79.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 21.9 m-20 -66.16 -36.69 83.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.821 ' CE2' HG11 ' A' ' 23' ' ' VAL . 16.1 m95 -63.54 -55.37 24.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 107.964 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' GLN . 13.3 t -58.7 -63.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.399 1.062 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.683 ' CB ' HD23 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -45.19 -43.19 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 108.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.637 HD22 HD12 ' A' ' 106' ' ' ILE . 27.0 tp -58.28 -55.5 34.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.23 -19.81 65.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tm0? -74.19 -56.29 5.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.482 ' ND1' ' HB1' ' A' ' 111' ' ' ALA . 5.8 t-160 -60.76 -24.74 65.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.607 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' SER . 19.1 mm-40 -75.57 -63.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER 158.51 64.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.608 ' OD1' ' CD2' ' A' ' 8' ' ' PHE . 9.1 t30 -64.2 -155.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 5.7 m-85 62.4 -61.68 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ASN . 12.7 m-20 -129.06 150.42 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.465 HG22 HD11 ' A' ' 56' ' ' ILE . 4.0 p -103.36 49.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 43' ' ' THR . 4.4 ttt-85 -88.73 -18.72 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.15 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 54' ' ' TYR . 7.3 p -143.38 135.6 26.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.344 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -150.63 94.27 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -89.96 157.85 17.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' SER . 75.7 m-20 -160.87 103.67 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.7 tpp180 -76.69 -30.97 56.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.98 -36.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -137.1 35.51 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.3 tp60 36.44 50.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.483 ' HB3' ' CD ' ' A' ' 62' ' ' ARG . 90.7 p -132.98 147.52 52.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.572 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.9 m -140.97 164.68 29.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.433 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASN . 5.4 t0 -149.79 108.62 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.662 ' HE1' HD12 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -150.02 169.6 20.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.27 164.17 16.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.465 HD11 HG22 ' A' ' 40' ' ' THR . 3.2 mm -41.43 -60.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.536 0.786 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -89.14 23.23 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 40.65 77.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 9.8 mt -89.22 147.22 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.9 OUTLIER -80.42 135.12 36.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.656 ' OG ' ' CE2' ' A' ' 54' ' ' TYR . 0.7 OUTLIER -92.51 1.75 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.483 ' CD ' ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.04 -39.94 14.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.343 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.412 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -102.6 -46.55 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.412 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 28.6 m-90 -97.71 158.05 15.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.071 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.702 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.7 147.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.464 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . 11.9 t30 -89.99 -94.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 5.1 t70 176.24 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.12 -1.93 86.69 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.612 1.195 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.5 -46.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 72' ' ' ARG . 3.1 m -107.19 103.32 47.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 60.05 5.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.617 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -121.15 -58.02 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -39.93 138.83 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.4 p -90.1 56.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.464 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 26.5 p-10 -38.96 96.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -85.0 -16.84 39.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.64 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.0 t -90.13 -32.52 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.424 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 74.01 61.03 3.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.584 1.178 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -150.03 158.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.361 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.691 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 1.8 m-20 -70.77 123.79 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 7.8 m -49.35 -48.31 46.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.245 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 t -54.42 -25.11 22.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -63.97 -12.24 35.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.662 HD12 ' HE1' ' A' ' 54' ' ' TYR . 15.0 mt -98.12 10.57 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.0 25.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -97.41 -164.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -88.2 -71.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.98 129.0 39.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ALA . 4.8 pt -82.95 3.67 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.9 t -42.98 -37.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.2 64.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -62.37 -35.87 80.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.465 HG23 ' HE2' ' A' ' 17' ' ' MET . 12.2 mt -74.02 -53.74 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.366 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 5.2 tp60 -54.05 -43.32 70.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 99' ' ' VAL . 7.3 t -69.26 -53.66 18.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -43.73 -47.41 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -70.84 -43.04 69.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.506 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.32 -17.97 63.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 110.365 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 42.4 t -91.4 -55.93 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -31.6 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -53.28 -25.01 13.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.489 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -74.28 177.98 1.89 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.1 Cg_endo -75.0 2.28 6.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -68.94 -62.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.82 163.66 14.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.135 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.637 HD12 HD22 ' A' ' 31' ' ' LEU . 9.5 mm -47.67 -30.06 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -31.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.06 -32.11 14.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.593 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 9.5 m-90 -102.81 66.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 113' ' ' ARG . 11.9 p -45.94 -25.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.482 ' HB1' ' ND1' ' A' ' 34' ' ' HIS . . . -47.74 -46.27 29.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.525 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -60.45 -33.58 72.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 107.997 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.48 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 47.9 ttt-85 -64.87 -14.75 60.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.18 32.96 4.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.89 -45.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.525 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.53 -54.03 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.241 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.57 -13.61 15.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.403 1.064 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -62.15 -66.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.77 -169.94 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -88.0 103.59 15.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.683 HD23 ' CB ' ' A' ' 30' ' ' CYS . 14.7 tp -101.43 21.75 13.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.1 t -73.92 -21.77 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.938 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.74 -9.4 58.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -33.19 62.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.606 HG21 ' HG ' ' A' ' 25' ' ' LEU . 3.7 pt -94.03 -36.05 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 15.6 tpt180 -75.94 103.65 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 161.69 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -24.79 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.341 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.13 31.33 3.11 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 38' ' ' TYR . 42.9 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.612 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -158.22 143.62 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.92 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' ARG . 9.8 pt-20 -101.31 177.84 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -38.14 -50.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -56.15 -77.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.407 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.3 mt-10 -35.98 -65.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.643 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 9.5 t80 -42.91 -51.09 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 111.034 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.42 -54.26 48.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.96 -56.24 9.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.422 1.076 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.1 m -54.91 -54.95 36.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.473 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.496 HD23 ' CA ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -45.72 -51.27 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HD2' ' HB3' ' A' ' 18' ' ' ALA . 1.5 tptt -68.57 -28.31 66.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' THR . 18.1 ttp180 -74.21 -26.38 60.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.3 t-20 -90.43 -40.9 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.09 50.0 0.75 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.146 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 -40.13 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.738 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -47.3 112.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 89.78 28.23 19.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 21' ' ' TYR . 30.2 t80 -47.53 178.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.68 -56.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.89 -63.83 0.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.834 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.6 t -43.64 120.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.497 0.763 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -89.63 146.83 24.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.971 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.738 HD13 ' CB ' ' A' ' 18' ' ' ALA . 20.8 tp -43.97 -46.21 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.34 94.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 49.0 m-20 -64.48 -37.15 86.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.834 ' CE2' HG11 ' A' ' 23' ' ' VAL . 11.9 m95 -65.76 -56.99 9.08 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.868 HG21 HG22 ' A' ' 125' ' ' ILE . 56.1 t -55.38 -59.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.871 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -50.53 -43.16 55.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.254 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.707 HD22 HD12 ' A' ' 106' ' ' ILE . 35.9 tp -62.27 -58.72 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . . . -56.94 -25.07 56.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' VAL . 43.5 tp60 -72.69 -55.44 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.417 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 2.6 t60 -60.84 -24.17 65.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.603 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.512 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 7.3 mm-40 -74.63 -59.38 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 7.6 t -176.76 -62.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' A' ' 39' ' ' ASN . 2.1 t-20 55.94 -169.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 3' ' ' TYR . 2.5 m-85 60.3 -74.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -122.41 138.56 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.598 HG21 ' OH ' ' A' ' 3' ' ' TYR . 42.7 p -81.65 59.61 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 43' ' ' THR . 2.0 ttp85 -102.45 -15.22 16.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.587 ' HB2' ' HB2' ' A' ' 36' ' ' SER . . . -51.86 92.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.628 HG22 ' HB2' ' A' ' 54' ' ' TYR . 7.5 p -138.26 134.38 34.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -149.97 92.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.793 ' HA ' HG23 ' A' ' 52' ' ' THR . 28.0 p90 -88.75 155.17 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -161.66 103.76 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' GLY . 8.5 ttp-105 -75.37 -30.36 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -32.98 -41.92 0.13 Allowed Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.468 1.105 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -133.15 34.52 3.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 0.722 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.517 ' HG3' HG21 ' A' ' 70' ' ' THR . 12.8 tm0? 36.14 61.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 22.6 p -144.86 129.14 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.793 HG23 ' HA ' ' A' ' 45' ' ' TYR . 87.8 m -125.21 126.7 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.565 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -108.74 103.6 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.679 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 p90 -152.67 162.91 40.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.64 156.02 9.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -47.42 -35.17 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.518 ' CZ ' ' CE3' ' A' ' 28' ' ' TRP . 10.8 m-85 -106.56 22.38 15.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 38.52 85.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 66.7 mt -104.6 145.04 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.565 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -91.2 139.25 30.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' THR . 14.2 t -91.35 9.63 30.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.497 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.5 OUTLIER -89.58 -26.86 20.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -116.91 -53.17 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.701 ' CZ3' ' HB3' ' A' ' 76' ' ' ALA . 69.0 m95 -99.56 160.5 14.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 107.965 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.768 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.36 153.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.163 . . . . 0.0 108.294 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.84 169.8 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -128.18 -46.15 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.07 -0.3 69.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -90.92 -16.35 28.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.517 HG21 ' HG3' ' A' ' 50' ' ' GLN . 1.2 m -139.89 106.74 6.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 57.38 4.57 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.409 1.742 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.4 -51.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.477 ' HB2' ' OE1' ' A' ' 50' ' ' GLN . . . -44.59 159.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 74' ' ' VAL . 11.0 p -123.39 66.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 5.0 p-10 -51.83 93.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.701 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -79.01 -8.68 59.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.509 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.2 t -90.68 -38.39 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.53 54.41 26.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.768 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -144.28 158.21 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.79 . . . . 0.0 109.275 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.6 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 3.7 t30 -62.65 120.86 12.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.418 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 1.2 m -49.85 -46.42 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.307 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.52 -24.57 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -62.64 -13.47 32.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.121 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.679 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 43.4 mt -104.01 16.67 25.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.86 15.09 2.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -102.23 -168.96 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.83 -70.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -43.68 126.83 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.441 ' CG2' ' OH ' ' A' ' 3' ' ' TYR . 24.0 pt -91.16 2.55 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -43.49 -44.48 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . -72.3 -37.72 68.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.667 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -59.28 -43.91 92.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 22.7 mt -72.22 -49.7 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.26 -49.62 73.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -67.87 -42.75 80.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 108.284 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.73 -49.8 46.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 8.0 ptmt -71.22 -40.81 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -64.32 -21.46 66.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 95' ' ' CYS . 49.7 t -88.7 -58.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 96' ' ' ALA . 91.6 t -57.37 -28.71 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -19.01 3.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -79.88 176.85 3.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -74.96 3.02 5.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -70.51 -62.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.232 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 78.11 161.43 17.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.707 HD12 HD22 ' A' ' 31' ' ' LEU . 7.9 mm -40.34 -29.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.451 0.736 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.454 ' N ' ' C ' ' A' ' 105' ' ' GLY . 23.7 ttm-85 -41.53 -36.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.49 -35.02 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.512 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 22.4 m-90 -100.98 63.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' ARG . 7.7 p -39.53 -31.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 109' ' ' TRP . . . -44.7 -51.26 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.553 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.12 -37.59 77.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.471 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -64.93 -14.83 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.12 29.88 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.65 -47.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.25 -53.25 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 108.236 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.16 56.56 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -146.74 -65.92 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -123.51 -171.99 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.87 100.19 12.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' A' ' 30' ' ' CYS . 1.5 tt -96.1 15.23 21.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.4 m -74.14 -21.97 59.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -69.38 -11.43 60.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -37.96 37.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.868 HG22 HG21 ' A' ' 29' ' ' VAL . 1.3 pt -88.93 -31.58 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.377 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 127' ' ' ASN . 10.2 tpt180 -76.54 95.52 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 42.7 t30 171.62 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -24.08 60.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 111.55 34.16 2.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.325 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.588 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 97.4 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 63.7 m-85 -162.81 140.37 8.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 5' ' ' ARG . 6.6 pt-20 -107.28 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -36.48 -63.65 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.2 m -49.58 -80.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -34.34 -64.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 4' ' ' GLU . 12.0 t80 -43.64 -47.96 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -59.06 -55.87 29.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -48.38 -58.83 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASN . 9.7 m -52.14 -53.3 44.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.69 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 1.1 mp -46.93 -53.39 12.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 1.9 tptm -64.58 -29.98 71.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -25.07 58.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.7 t30 -89.57 -41.27 12.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.59 36.47 1.42 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.473 ' HG3' ' CG2' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -116.53 -32.02 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -60.45 108.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.86 30.09 13.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.071 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.6 t80 -48.61 177.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -35.58 -56.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 111.033 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.18 -63.38 0.38 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 28' ' ' TRP . 12.2 t -47.83 120.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.88 149.99 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.942 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.744 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 2.8 tp -49.4 -43.78 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.86 94.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.41 ' HA ' ' SG ' ' A' ' 116' ' ' CYS . 65.9 m-20 -65.07 -39.05 92.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.79 ' CE2' HG11 ' A' ' 23' ' ' VAL . 24.2 m95 -62.54 -59.35 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.801 HG21 HG22 ' A' ' 125' ' ' ILE . 46.7 t -51.71 -62.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.85 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -44.98 -48.1 11.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 108.292 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.598 HD11 ' CG ' ' A' ' 109' ' ' TRP . 25.9 tp -55.82 -52.79 62.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.61 -20.36 66.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -73.83 -55.85 5.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.464 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.9 t-80 -70.89 -22.83 62.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.64 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -75.47 -62.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 110.231 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.484 ' OG ' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -162.86 -68.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 65.0 t30 74.98 171.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 65.1 m-85 59.0 -111.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -87.44 134.17 33.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.656 HG22 HD12 ' A' ' 56' ' ' ILE . 29.1 p -84.61 50.7 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.9 ttt-85 -78.68 -16.8 56.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.484 ' HB2' ' OG ' ' A' ' 36' ' ' SER . . . -47.72 103.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.55 HG22 ' CB ' ' A' ' 54' ' ' TYR . 2.9 p -144.0 140.12 29.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -151.18 95.54 2.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.609 1.193 . . . . 0.0 109.373 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.401 ' HA ' HG23 ' A' ' 52' ' ' THR . 20.2 p90 -90.69 149.91 21.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -160.3 103.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -80.54 -29.88 37.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.77 -34.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLN . 5.5 t70 -136.6 32.08 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' ASP . 5.2 tp-100 34.24 60.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 72.3 m -149.93 114.43 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.677 HG21 ' CE2' ' A' ' 54' ' ' TYR . 2.5 m -110.9 165.84 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.0 OUTLIER -150.27 112.89 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.677 ' CE2' HG21 ' A' ' 52' ' ' THR . 0.1 OUTLIER -150.94 171.13 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.76 157.96 11.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.656 HD12 HG22 ' A' ' 40' ' ' THR . 5.1 tt -54.6 -40.91 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.611 0.83 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -92.22 11.68 24.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 49.73 79.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 76.8 mt -99.5 145.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.15 138.93 30.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 8.8 t -92.85 4.62 53.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.51 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 2.2 ptt180 -88.76 -15.79 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -126.9 -52.89 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CE3' ' HB3' ' A' ' 76' ' ' ALA . 81.7 m95 -97.11 154.94 17.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.685 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.01 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.32 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.494 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . 2.2 t-20 -96.2 -96.5 0.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 1.6 t70 173.54 -47.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.29 -1.02 81.92 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.47 1.106 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.82 -43.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 0.722 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -108.4 101.61 43.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 71.04 5.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.485 1.782 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 73' ' ' ALA . 1.4 mmt180 -141.51 -55.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -38.41 137.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 0.0 109.223 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 74' ' ' VAL . 15.0 p -88.71 59.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.494 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 28.9 p-10 -44.32 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . . . -81.53 -12.83 58.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.551 ' HB3' HD12 ' A' ' 79' ' ' ILE . 18.5 t -90.68 -25.74 19.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.09 53.41 30.11 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.685 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -149.11 166.34 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.254 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -83.27 123.78 29.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.427 ' SG ' ' OH ' ' A' ' 54' ' ' TYR . 83.7 m -47.72 -31.48 4.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -29.65 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -65.79 -10.7 39.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 65' ' ' CYS . 2.3 mt -103.09 8.53 38.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 85' ' ' LEU . 9.7 tp -137.53 11.6 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -93.13 -171.41 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -69.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.92 133.14 43.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ALA . 9.4 pt -93.52 1.02 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -43.64 -36.31 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.643 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -73.52 -40.98 63.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.674 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.83 -40.04 91.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 11.4 mt -72.48 -50.84 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -56.53 -48.82 76.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.764 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.6 OUTLIER -67.58 -42.77 81.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 108.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -50.68 -49.37 57.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -69.44 -43.76 72.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.6 OUTLIER -61.69 -23.43 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 95' ' ' CYS . 75.8 t -85.26 -57.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 96' ' ' ALA . 58.0 t -60.62 -22.3 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 -64.82 -16.19 62.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.513 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -77.48 178.44 2.11 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.04 1.81 7.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -69.31 -61.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.55 157.46 15.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.569 HD13 ' CZ3' ' A' ' 109' ' ' TRP . 6.5 mm -42.24 -28.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -41.96 -35.5 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.81 -35.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.615 1.197 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CG ' HD11 ' A' ' 31' ' ' LEU . 17.2 m-90 -102.41 64.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 108.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' ARG . 95.9 t -44.38 -27.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -47.08 -47.62 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -58.91 -35.68 73.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 107.987 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 110' ' ' VAL . 26.2 ttt180 -65.0 -15.42 62.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.02 30.94 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.55 -44.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.575 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.521 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.47 -53.96 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.227 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -14.58 23.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.1 -71.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -134.98 -166.97 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.65 104.04 5.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.867 ' O ' HD13 ' A' ' 121' ' ' LEU . 1.5 tm? -98.35 15.69 23.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.4 t -82.17 -16.21 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -72.01 -16.62 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -78.85 -30.15 44.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.801 HG22 HG21 ' A' ' 29' ' ' VAL . 1.1 pt -98.48 -27.23 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 2.9 ttt180 -78.53 123.18 26.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 19.3 t30 74.85 24.98 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -82.06 -33.18 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.62 36.37 1.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 45.5 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.526 ' CE2' HG23 ' A' ' 89' ' ' ILE . 69.9 m-85 -140.73 118.37 11.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 5' ' ' ARG . 1.3 pt-20 -97.78 166.59 11.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' GLU . 1.1 ptt-85 -34.6 -56.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLU . 75.9 m -54.01 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.33 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 6' ' ' CYS . 4.1 mt-10 -34.47 -64.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.647 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -40.78 -53.31 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.649 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -56.86 -55.86 29.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -47.69 -59.46 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ASN . 17.5 m -50.47 -55.72 14.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -45.81 -53.63 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -65.72 -26.52 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' THR . 36.4 ttt85 -76.62 -27.08 55.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.0 t30 -89.72 -42.8 11.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.39 59.66 0.49 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.578 ' SD ' ' CZ2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -129.75 -41.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 0.719 . . . . 0.0 111.018 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.97 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -57.9 123.07 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 94.63 20.4 29.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.6 t80 -49.22 -178.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 110.988 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.94 -42.26 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.424 1.077 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.3 -64.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.08 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.004 HG11 HG13 ' A' ' 106' ' ' ILE . 11.6 m -45.02 114.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.3 165.72 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.97 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 29.7 tp -47.62 -44.16 26.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.58 91.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' OD2' HG12 ' A' ' 23' ' ' VAL . 32.3 t0 -64.01 -39.82 94.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ2' ' SD ' ' A' ' 17' ' ' MET . 71.8 m95 -65.92 -60.96 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.037 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.78 HG21 HG22 ' A' ' 125' ' ' ILE . 75.7 t -48.48 -57.69 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.737 ' HB3' HD12 ' A' ' 121' ' ' LEU . 1.5 p -53.88 -47.3 71.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.652 HD11 ' CD2' ' A' ' 109' ' ' TRP . 3.8 tp -53.61 -56.51 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.647 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -61.72 -25.22 67.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -68.12 -52.4 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.172 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -66.87 -22.96 65.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -77.13 -64.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.1 t -163.99 -67.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.585 ' O ' ' N ' ' A' ' 39' ' ' ASN . 7.5 t-20 66.76 176.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 14.5 m-85 62.45 -62.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.585 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.5 m120 -113.6 136.81 52.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.8 ' HB ' HD12 ' A' ' 56' ' ' ILE . 6.8 t -108.16 47.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ttp-105 -120.45 19.48 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 0.0 110.309 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.835 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -50.22 119.47 3.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.917 HG22 ' CD2' ' A' ' 54' ' ' TYR . 5.8 p -150.15 131.72 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.7 t30 -151.27 103.04 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.713 ' HA ' HG23 ' A' ' 52' ' ' THR . 1.7 t80 -87.82 149.14 24.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -161.81 103.79 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.12 -31.97 39.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.85 -42.92 1.17 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.428 1.08 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -120.15 30.56 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 0.818 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' A' ' 49' ' ' ASP . 3.6 tp60 33.49 54.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.528 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 53.8 p -146.48 150.48 35.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.173 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.713 HG23 ' HA ' ' A' ' 45' ' ' TYR . 98.9 m -135.07 154.54 51.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -124.22 99.48 6.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.917 ' CD2' HG22 ' A' ' 43' ' ' THR . 3.5 m-85 -126.29 158.41 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.835 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 102.04 146.03 17.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.8 HD12 ' HB ' ' A' ' 40' ' ' THR . 13.4 tt -53.54 -32.81 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -89.43 21.4 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 40.64 67.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.7 mt -89.96 133.26 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.622 1.202 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.1 t-20 -77.44 133.67 38.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -90.47 5.57 47.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.528 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 18.5 ttt180 -91.72 -20.24 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -122.66 -48.66 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.525 ' O ' ' HA ' ' A' ' 61' ' ' SER . 8.1 m-90 -110.74 154.47 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.039 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.535 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.8 OUTLIER 55.71 167.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.505 ' OD1' ' HB3' ' A' ' 73' ' ' ALA . 14.1 t30 -159.21 -167.87 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -121.97 -52.82 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.86 1.26 17.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -101.79 -17.26 16.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.592 0.819 . . . . 0.0 109.33 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -124.41 90.83 50.36 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 68.98 5.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -145.07 -50.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.505 ' HB3' ' OD1' ' A' ' 66' ' ' ASN . . . -42.72 164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 74' ' ' VAL . 14.9 p -120.04 53.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -50.26 96.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.46 -12.38 60.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.537 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.7 t -90.58 -36.95 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.11 55.64 18.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.631 HD13 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -150.78 173.52 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' ALA . 1.6 m120 -89.13 120.47 30.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.8 m -47.01 -30.37 2.59 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -38.96 75.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -61.13 -15.15 30.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 92' ' ' ALA . 17.2 mt -102.26 13.02 35.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.556 HD11 HG23 ' A' ' 43' ' ' THR . 0.8 OUTLIER -132.83 25.31 4.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.37 -165.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.349 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -76.28 -56.16 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 109.216 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -77.85 136.83 38.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.526 HG23 ' CE2' ' A' ' 3' ' ' TYR . 44.3 pt -87.05 3.74 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 t -44.5 -47.54 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.431 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 83' ' ' ALA . . . -68.59 -36.83 79.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.428 ' HA ' HD22 ' A' ' 84' ' ' LEU . . . -61.71 -48.23 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.3 mt -64.88 -48.58 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.408 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 1.5 tt0 -53.28 -45.62 68.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.4 t -70.62 -44.07 67.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.97 -49.97 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.538 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 22.0 pttt -70.12 -40.53 74.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.538 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 8.0 ttt180 -62.78 -25.0 68.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.521 HG22 ' CD1' ' A' ' 64' ' ' TRP . 17.5 t -85.9 -55.97 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.222 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -32.83 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -46.68 -27.83 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.302 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.485 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.18 177.65 1.67 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.07 -1.81 11.73 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -64.43 -61.91 1.93 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 0.0 110.354 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 77.27 153.21 5.53 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.004 HG13 HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -41.07 -29.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 0.805 . . . . 0.0 109.407 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' N ' ' C ' ' A' ' 105' ' ' GLY . 8.7 ttp180 -39.41 -35.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.18 -35.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.729 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 12.8 m-90 -90.48 57.12 3.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 113' ' ' ARG . 77.4 t -40.87 -29.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -45.28 -50.15 12.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.466 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -56.5 -39.48 73.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 107.99 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.466 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 9.3 ttp180 -61.72 -15.17 38.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.87 32.04 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.357 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -150.6 -45.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.67 -54.3 4.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 108.249 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.56 55.79 0.66 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -146.06 -61.63 0.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -170.07 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -88.58 99.53 12.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.852 ' O ' HD13 ' A' ' 121' ' ' LEU . 1.4 tm? -96.96 16.23 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.378 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.73 -27.43 40.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.71 -14.65 61.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -25.87 42.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.78 HG22 HG21 ' A' ' 29' ' ' VAL . 7.7 pt -101.83 -35.05 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.1 OUTLIER -74.85 122.5 23.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 45.6 t30 82.46 29.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' ILE . 0.3 OUTLIER -96.16 -32.89 12.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 111.92 38.4 1.41 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.595 1.185 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.562 0.801 . . . . 0.0 109.304 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 39' ' ' ASN . 2.4 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.907 ' CE2' HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -162.05 141.51 9.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.416 1.073 . . . . 0.0 111.04 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -109.44 174.08 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.92 -68.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -46.93 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.256 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -31.27 -68.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.816 ' CE1' ' CE2' ' A' ' 3' ' ' TYR . 1.6 t80 -42.53 -59.08 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.06 -51.46 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -63.1 -53.85 47.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.531 HG21 HD11 ' A' ' 89' ' ' ILE . 15.2 m -54.44 -54.35 42.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -54.51 -49.22 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -62.25 -29.23 70.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.83 -19.46 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -88.24 -40.71 13.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.01 41.87 1.62 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 ttt -122.42 -38.35 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.684 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -51.92 111.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 87.15 30.77 18.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' TYR . 22.6 t80 -47.92 178.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -33.86 -52.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.86 -64.52 0.2 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.672 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.5 t -44.6 122.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.14 151.79 21.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.79 ' O ' HG23 ' A' ' 29' ' ' VAL . 4.5 tp -47.46 -46.94 27.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.67 95.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -62.54 -37.64 86.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.672 ' CE2' HG11 ' A' ' 23' ' ' VAL . 59.6 m95 -65.87 -61.05 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 108.046 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 25' ' ' LEU . 12.3 t -50.54 -55.1 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.844 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -52.33 -49.84 63.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.449 1.093 . . . . 0.0 108.265 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 109' ' ' TRP . 1.5 tm? -48.89 -57.23 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.527 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -68.57 -20.69 64.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.388 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 29' ' ' VAL . 4.8 tm0? -66.12 -53.4 38.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' ND1' ' A' ' 115' ' ' HIS . 5.6 t-160 -64.09 -17.73 63.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.666 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 5.1 mm-40 -81.18 -66.69 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.8 p -164.07 -67.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.581 ' HA ' HD11 ' A' ' 56' ' ' ILE . 5.5 t30 73.69 170.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 3' ' ' TYR . 9.8 m-85 69.42 -58.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.422 ' HB3' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -138.7 131.58 29.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.6 HG22 HD12 ' A' ' 56' ' ' ILE . 18.3 p -76.66 54.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 110.381 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -6.7 58.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -52.11 103.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 1.067 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.1 p -147.47 123.95 11.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.456 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.78 101.24 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.414 ' HA ' HG23 ' A' ' 52' ' ' THR . 3.0 t80 -88.3 154.95 20.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -159.85 104.23 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -76.7 -34.73 58.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -37.15 -39.79 0.49 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.599 1.187 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 50' ' ' GLN . 36.5 t70 -125.33 33.04 5.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 49' ' ' ASP . 14.2 pt20 32.91 44.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 67.9 m -132.97 147.85 52.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.944 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.714 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.6 m -139.92 133.36 30.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 110.36 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -104.38 95.87 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 1.067 ' CD2' HG22 ' A' ' 43' ' ' THR . 5.0 m-85 -126.05 159.77 31.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 111.058 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.665 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 105.64 145.11 12.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.907 HD13 ' CE2' ' A' ' 3' ' ' TYR . 5.6 tt -51.13 -35.18 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.406 ' O ' ' NE1' ' A' ' 109' ' ' TRP . 22.2 m-85 -89.9 19.96 4.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' GLY . 3.6 tp60 42.27 69.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.1 mt -95.25 141.12 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' THR . 3.1 p30 -85.42 131.8 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.216 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' THR . 12.3 m -90.34 11.59 20.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.15 -19.99 24.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.362 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -126.22 -54.96 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.951 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 1.4 m95 -97.41 160.55 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.755 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 58.21 160.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -140.42 -164.2 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -137.43 -51.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.2 -3.61 28.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -113.75 -13.3 12.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.9 m -121.25 86.78 43.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 55.33 3.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.54 -50.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.85 167.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 76' ' ' ALA . 14.3 p -119.99 47.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -41.24 96.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -84.76 -8.28 58.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.663 ' HB3' HD12 ' A' ' 79' ' ' ILE . 1.8 t -89.82 -30.7 17.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.436 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 64.68 51.21 53.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.755 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -150.39 134.27 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -63.47 119.65 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.734 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -46.09 -26.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 80' ' ' ASN . 3.1 m -54.82 -35.98 64.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.86 -18.85 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 81' ' ' CYS . 0.7 OUTLIER -106.62 18.59 21.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.67 -75.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -143.94 31.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.02 -67.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -168.1 -179.85 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.213 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.531 HD11 HG21 ' A' ' 11' ' ' THR . 2.6 pt -98.74 -17.81 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.4 -45.16 12.54 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.459 1.099 . . . . 0.0 110.485 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.85 82.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.707 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -63.2 -37.7 88.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.5 mt -71.97 -53.85 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -54.88 -47.08 74.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 110.363 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.519 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -69.5 -41.29 76.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 108.315 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -51.59 -48.04 63.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 3.8 ptpt -71.8 -43.56 65.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 2.7 ttt180 -63.22 -21.75 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 95' ' ' CYS . 26.5 t -88.63 -58.09 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -31.63 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -48.28 -27.57 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.604 1.19 . . . . 0.0 110.372 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.474 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -71.62 176.6 2.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.0 Cg_endo -75.09 2.08 7.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -68.25 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 76.3 160.77 10.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.545 HD13 ' CZ3' ' A' ' 109' ' ' TRP . 3.6 mm -41.0 -29.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -42.71 -34.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.3 -34.93 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.729 ' HB2' HD21 ' A' ' 31' ' ' LEU . 19.1 m-90 -98.93 64.43 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 113' ' ' ARG . 76.3 t -41.61 -29.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.504 ' HB1' ' ND1' ' A' ' 34' ' ' HIS . . . -46.35 -48.72 18.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.087 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.407 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -53.96 -37.98 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 107.995 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 110' ' ' VAL . 7.5 ttt180 -61.33 -15.83 39.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.273 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.03 32.87 4.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.599 ' ND1' ' CE1' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -146.63 -46.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.671 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -54.59 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 108.319 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.68 56.95 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -144.83 -58.38 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.61 -170.3 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -94.31 100.51 12.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.844 HD22 ' HB3' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -93.01 15.05 15.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -24.35 62.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -12.66 60.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.52 -33.89 54.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.571 HG22 HG21 ' A' ' 29' ' ' VAL . 1.2 pt -96.22 -34.53 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 127' ' ' ASN . 18.8 tpt180 -76.88 109.87 11.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 163.68 -27.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -24.34 60.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.261 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 103.14 30.38 5.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' TYR . 8.6 m-85 -163.21 137.89 6.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 5' ' ' ARG . 22.9 pt-20 -99.31 174.68 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.563 ' HA ' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -37.49 -65.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -45.82 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 108.334 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -35.26 -65.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 0.8 OUTLIER -40.7 -51.33 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.11 -57.26 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -52.42 -54.92 25.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.6 m -51.13 -52.76 40.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 2.3 mp -51.91 -56.67 12.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.617 ' HG2' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -61.05 -24.7 66.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' ARG . 1.3 ttt180 -81.91 -25.32 35.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.7 t30 -90.14 -44.02 10.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.22 42.33 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -124.04 -38.42 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 111.018 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.951 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -49.24 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' MET . . . 107.58 29.17 4.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.471 ' O ' ' C ' ' A' ' 21' ' ' TYR . 5.6 t80 -47.25 177.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.981 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -31.82 -44.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.77 -66.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.751 HG22 ' CD1' ' A' ' 28' ' ' TRP . 2.3 p -52.38 111.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -89.95 166.4 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.951 HD22 ' HB1' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -49.87 -31.53 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.76 67.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.621 ' HB3' HG23 ' A' ' 23' ' ' VAL . 54.0 t0 -65.71 -35.17 79.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.751 ' CD1' HG22 ' A' ' 23' ' ' VAL . 86.4 m95 -66.37 -58.93 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 25' ' ' LEU . 60.4 t -50.79 -59.06 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.781 ' HB3' HD22 ' A' ' 121' ' ' LEU . 1.2 p -52.92 -45.13 67.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.924 HD22 HD12 ' A' ' 106' ' ' ILE . 22.8 tp -55.13 -52.56 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . . . -66.44 -23.31 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' VAL . 35.2 tp60 -69.31 -53.2 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -64.83 -23.59 67.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.589 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 4.8 mm-40 -80.7 -59.66 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.365 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.78 -64.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 39' ' ' ASN . 4.9 t-20 65.42 179.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 5.5 m-85 61.3 -62.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.613 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.8 m-20 -127.62 145.26 50.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.729 HG22 HD12 ' A' ' 56' ' ' ILE . 52.8 p -98.15 55.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.54 ' O ' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -90.45 -19.97 23.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 54' ' ' TYR . . . -40.49 98.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 41' ' ' ARG . 5.1 p -136.95 129.26 29.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.465 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.41 89.12 1.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.657 ' CE2' HG21 ' A' ' 52' ' ' THR . 38.4 m-85 -90.3 158.68 17.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -162.03 104.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.3 ttm180 -74.16 -32.1 62.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.26 -35.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -139.18 32.96 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 49' ' ' ASP . 21.5 tp60 34.18 53.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 93.2 p -137.88 116.15 11.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.657 HG21 ' CE2' ' A' ' 45' ' ' TYR . 2.3 m -112.87 152.52 29.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -135.97 105.43 6.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.7 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 p90 -152.63 167.66 28.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.59 156.96 10.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.729 HD12 HG22 ' A' ' 40' ' ' THR . 1.2 tt -46.89 -38.52 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 18.5 m-85 -104.35 24.21 11.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 39.66 77.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.2 mt -96.17 149.86 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -90.61 135.37 33.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.66 0.61 57.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.423 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 1.3 ttt180 -88.07 -15.6 35.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.47 -60.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.887 ' CD2' HG22 ' A' ' 99' ' ' VAL . 84.2 m95 -92.36 159.51 15.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.532 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.09 154.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 1.5 t-20 -134.87 -170.82 2.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -127.98 -48.78 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.52 -0.36 37.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -131.22 12.54 5.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 0.79 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 70' ' ' THR . 1.4 m -129.76 88.76 48.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.47 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.52 5.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.44 -62.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.84 162.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' ALA . 8.2 p -123.0 59.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 4.8 p-10 -43.08 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -79.62 -10.06 59.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.9 t -91.32 -30.63 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.312 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.48 45.26 96.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.581 HD13 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -137.87 169.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' N ' HG12 ' A' ' 79' ' ' ILE . 4.3 m-20 -72.45 121.59 19.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.593 1.183 . . . . 0.0 109.378 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.429 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 1.3 m -51.02 -29.85 13.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 5.6 p -59.76 -23.59 63.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.889 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -65.91 -10.18 36.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.7 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 16.1 mt -101.9 6.08 41.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.6 tp -145.07 16.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 82' ' ' SER . 4.0 mm-40 -90.21 -172.45 3.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.17 -70.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -56.87 142.26 41.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 93' ' ' ILE . 4.8 pt -95.62 -0.09 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -42.81 -37.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.889 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -73.63 -43.45 59.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -56.6 -40.83 75.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 89' ' ' ILE . 8.7 mt -73.19 -53.93 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -54.64 -43.94 72.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.8 t -70.72 -43.66 68.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -51.55 -45.25 62.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -73.11 -44.43 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 12.4 tpt180 -60.75 -27.63 68.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 110.351 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.887 HG22 ' CD2' ' A' ' 64' ' ' TRP . 15.3 t -82.92 -56.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 102' ' ' ASP . 16.4 t -54.49 -30.54 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.46 -22.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.519 ' OD2' ' CG ' ' A' ' 104' ' ' GLN . 0.0 OUTLIER -57.95 174.82 0.31 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.224 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.94 -34.83 3.6 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.551 1.816 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.519 ' CG ' ' OD2' ' A' ' 102' ' ' ASP . 3.6 mm100 -56.84 -62.27 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 90.37 -178.49 43.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.924 HD12 HD22 ' A' ' 31' ' ' LEU . 4.0 mm -40.57 -29.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.581 0.812 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 105' ' ' GLY . 6.1 ttt180 -38.92 -38.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.04 -37.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.6 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 20.1 m-90 -96.71 67.01 2.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 113' ' ' ARG . 13.7 p -48.97 -23.33 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.79 -41.27 44.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.52 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -65.41 -30.95 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 107.946 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.496 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 34.6 ttt180 -66.94 -15.2 63.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.09 31.34 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 -44.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.74 -54.52 4.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 108.329 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -8.99 25.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -69.76 -64.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.45 -171.5 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -85.44 102.06 13.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.781 HD22 ' HB3' ' A' ' 30' ' ' CYS . 2.1 tt -91.72 14.03 16.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 m -72.17 -28.93 63.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -12.66 61.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -76.39 -33.58 58.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.8 pt -92.61 -39.75 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -69.48 101.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.0 OUTLIER 161.75 -27.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -24.84 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 108.349 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 104.81 29.06 5.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.778 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.564 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 76.4 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE2' HG12 ' A' ' 89' ' ' ILE . 7.4 m-85 -155.28 107.5 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.2 176.02 5.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.574 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -45.16 -48.75 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -58.27 -76.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 108.266 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -36.66 -65.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -47.22 -50.95 19.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.564 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -52.95 -50.58 63.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -57.43 -56.6 19.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ASN . 3.9 m -52.49 -56.07 17.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.591 HD23 ' HB2' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -48.83 -55.27 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -62.41 -26.1 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.8 tpt85 -81.09 -23.73 38.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -89.39 -42.53 11.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.44 51.98 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.02 -39.73 2.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.754 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.973 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -59.02 137.31 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.17 18.54 62.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.48 ' HB3' HG23 ' A' ' 23' ' ' VAL . 5.3 t80 -48.86 179.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 0.789 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -31.68 -45.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.932 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.84 -66.09 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.969 HG11 HG13 ' A' ' 106' ' ' ILE . 4.6 m -42.63 112.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.94 162.71 14.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 109.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.973 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 24.7 tp -46.11 -44.94 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.95 94.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.0 -38.13 89.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.469 ' CZ3' HD11 ' A' ' 106' ' ' ILE . 87.5 m95 -65.04 -63.09 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 108.026 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.577 HG21 ' CG2' ' A' ' 125' ' ' ILE . 2.8 t -45.53 -55.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.444 ' HB2' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -49.63 -59.88 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.265 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.618 ' CD1' HG23 ' A' ' 106' ' ' ILE . 4.6 tt -51.66 -41.54 61.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.502 ' HB1' ' ND2' ' A' ' 37' ' ' ASN . . . -66.88 -29.12 68.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 34.4 tp60 -72.59 -52.83 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.689 ' ND1' ' HB1' ' A' ' 111' ' ' ALA . 8.2 t-160 -58.02 -25.82 61.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.612 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.9 mm-40 -75.96 -64.63 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER 159.57 52.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.901 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 39' ' ' ASN . 1.9 t-20 -59.23 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 61.67 -62.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.614 1.196 . . . . 0.0 111.01 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.594 ' N ' ' O ' ' A' ' 37' ' ' ASN . 13.5 m120 -108.34 146.98 32.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.42 HG21 ' CD1' ' A' ' 3' ' ' TYR . 31.5 p -122.75 51.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.436 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -114.5 5.87 15.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.31 93.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.434 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 3.2 p -138.96 125.46 20.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.413 1.071 . . . . 0.0 110.439 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.4 92.28 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.453 ' HA ' HG23 ' A' ' 52' ' ' THR . 54.4 p90 -88.89 159.28 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -162.49 106.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 48' ' ' GLY . 1.1 tpp180 -75.66 -31.08 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.15 -37.35 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.3 t0 -136.97 34.69 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 70' ' ' THR . 7.7 tm0? 34.68 52.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 60.0 p -139.91 121.95 15.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.608 1.192 . . . . 0.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 61' ' ' SER . 2.1 m -117.49 131.24 56.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -108.82 103.37 12.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.619 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -153.21 169.05 23.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.047 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.34 148.07 9.66 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.451 1.094 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.474 ' CG2' ' HB1' ' A' ' 92' ' ' ALA . 0.9 OUTLIER -47.4 -33.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' GLN . 3.5 m-30 -105.5 31.04 5.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 33.97 79.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.7 mt -105.41 142.7 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -87.49 140.27 29.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 52' ' ' THR . 4.5 m -90.7 1.84 56.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.963 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.513 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 6.4 ptm180 -88.62 -4.17 58.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -135.46 -44.74 0.68 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 76' ' ' ALA . 9.9 m-90 -108.93 162.04 14.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.012 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.759 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.6 OUTLIER 60.61 146.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.414 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 6.0 p30 -117.25 170.63 8.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -136.5 -58.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.1 3.25 36.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.84 -16.05 27.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.468 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 1.2 m -145.2 106.06 4.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.82 4.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.801 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 -46.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.2 160.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 74' ' ' VAL . 5.2 p -123.6 54.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -40.12 99.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.447 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . . . -84.38 -10.87 57.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.9 t -92.19 -37.82 12.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.309 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.75 53.94 21.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.759 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -148.51 151.19 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.8 . . . . 0.0 109.331 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 4.6 m120 -61.07 125.6 24.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.437 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 86.1 m -56.48 -36.03 68.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -25.03 19.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.432 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -62.01 -22.96 66.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 5.8 mt -96.65 7.39 46.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.33 19.72 12.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.2 -161.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -71.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.09 153.67 4.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.226 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 3' ' ' TYR . 7.8 pt -99.03 5.65 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.372 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.0 t -44.04 -32.44 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.4 55.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.474 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -62.22 -38.39 89.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.427 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 13.4 mt -73.3 -52.08 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 2.5 tp60 -56.34 -42.7 78.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 99' ' ' VAL . 3.3 t -70.62 -49.31 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 108.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.694 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -47.98 -45.49 31.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -72.01 -44.37 63.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.218 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 3.8 tpt180 -59.95 -24.52 64.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 95' ' ' CYS . 56.4 t -86.34 -55.46 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.075 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 96' ' ' ALA . 84.2 t -56.17 -27.52 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -52.09 -19.73 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.231 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.474 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -80.26 176.68 3.55 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.05 0.37 9.01 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.425 1.75 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.24 -63.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.461 ' HA2' HG13 ' A' ' 100' ' ' VAL . . . 79.6 160.82 21.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.969 HG13 HG11 ' A' ' 23' ' ' VAL . 1.2 mm -42.92 -28.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -40.7 -36.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.359 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.78 -35.85 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.61 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 9.6 m-90 -92.36 68.63 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 107.985 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 10.9 p -43.85 -27.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.689 ' HB1' ' ND1' ' A' ' 34' ' ' HIS . . . -49.33 -48.34 46.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.518 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -53.82 -28.6 36.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 108.027 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.466 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 9.6 ttp85 -69.21 -19.87 63.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -129.05 32.69 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -150.72 -43.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.561 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 28.6 m -88.59 -62.89 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.73 55.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -128.88 -66.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.22 -168.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -85.39 97.35 9.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.862 ' O ' HD13 ' A' ' 121' ' ' LEU . 1.5 tm? -100.36 16.81 23.23 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -25.85 38.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -69.6 -9.74 55.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.574 ' CE2' ' HD2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -77.62 -35.55 52.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.577 ' CG2' HG21 ' A' ' 29' ' ' VAL . 4.3 pt -92.32 -36.49 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 23.5 tpt180 -64.32 102.89 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.4 OUTLIER 162.35 -28.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -25.28 59.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 102.93 27.61 6.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.582 0.813 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.575 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 3.3 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 2' ' ' VAL . 3.2 m-85 -166.04 123.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' ARG . 10.0 pt-20 -103.93 167.4 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -38.85 -58.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -53.09 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.165 . . . . 0.0 108.274 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -35.62 -64.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 110.27 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 6.3 t80 -40.33 -55.99 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.92 -54.58 40.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -48.13 -59.83 3.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASN . 3.5 m -52.99 -56.8 13.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.401 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -45.08 -49.38 11.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -32.15 73.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' THR . 12.5 ttt180 -74.16 -25.83 59.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.57 -40.09 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.24 48.92 0.74 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.21 -39.06 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.584 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -50.62 108.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.04 34.87 25.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' TYR . 55.0 t80 -47.76 176.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -35.84 -46.98 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -124.05 -56.87 0.18 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.421 1.076 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.779 HG11 ' CE2' ' A' ' 28' ' ' TRP . 39.9 t -50.22 124.44 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.431 0.724 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -90.37 146.74 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.584 HD22 ' HB1' ' A' ' 18' ' ' ALA . 11.2 tp -49.04 -45.02 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.86 -45.97 85.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.603 ' HA ' ' CE3' ' A' ' 112' ' ' TRP . 6.0 t0 -63.49 -34.27 77.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.779 ' CE2' HG11 ' A' ' 23' ' ' VAL . 7.5 m95 -64.13 -62.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.879 HG21 HG22 ' A' ' 125' ' ' ILE . 58.2 t -54.42 -59.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.353 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 33' ' ' GLN . 4.4 t -43.33 -57.68 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.957 HD11 ' CE3' ' A' ' 109' ' ' TRP . 3.0 tt -49.48 -48.14 48.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . . . -65.21 -23.76 67.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' VAL . 41.7 tp60 -76.0 -57.64 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.462 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 34.3 t-80 -57.74 -26.19 61.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.671 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' OE2' ' NE1' ' A' ' 109' ' ' TRP . 8.3 mm-40 -75.3 -59.98 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.7 t -174.69 -63.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' A' ' 39' ' ' ASN . 2.9 t-20 65.69 -175.75 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.575 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 16.0 m-85 62.14 -60.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.615 ' N ' ' O ' ' A' ' 37' ' ' ASN . 28.8 t-20 -139.75 154.57 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.729 HG22 HD12 ' A' ' 56' ' ' ILE . 7.7 p -102.03 51.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -82.6 -19.88 37.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 110.272 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 54' ' ' TYR . . . -45.92 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.499 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 6.6 p -138.08 121.11 16.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -140.71 89.59 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.205 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.568 ' HA ' HG23 ' A' ' 52' ' ' THR . 39.4 p90 -89.02 154.17 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -161.73 103.37 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.9 ttt180 -76.02 -31.94 59.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.55 -33.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -137.0 33.47 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HG2' HG21 ' A' ' 70' ' ' THR . 41.9 tp60 35.95 53.47 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.537 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 95.5 p -138.35 140.61 39.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.568 HG23 ' HA ' ' A' ' 45' ' ' TYR . 7.7 m -142.07 129.93 21.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER -112.58 105.92 14.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.699 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.4 p90 -153.79 166.05 34.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.12 152.93 9.46 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.729 HD12 HG22 ' A' ' 40' ' ' THR . 1.6 tt -49.23 -33.12 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.22 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.625 ' CD1' HD22 ' A' ' 31' ' ' LEU . 6.1 m-85 -104.43 21.63 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PHE . 2.4 tt0 38.53 82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.354 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.3 mt -108.1 147.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 52' ' ' THR . 2.2 m-80 -90.83 138.26 31.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' THR . 22.9 t -91.03 2.08 56.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.051 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.537 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 3.1 ptm180 -89.28 8.7 29.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -150.32 -48.31 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.434 ' O ' ' O ' ' A' ' 65' ' ' CYS . 20.9 m-90 -109.08 163.63 13.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 107.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.778 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.83 140.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 108.294 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -120.54 -178.78 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 24.6 t0 -132.92 -47.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.12 -1.75 54.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -114.67 -5.73 12.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.575 HG21 ' HG2' ' A' ' 50' ' ' GLN . 1.8 m -129.78 90.77 42.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.85 -56.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.45 160.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 74' ' ' VAL . 3.1 p -120.8 52.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.667 HD21 ' N ' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -38.09 97.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.175 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -84.28 -12.29 54.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.529 ' SG ' HD12 ' A' ' 79' ' ' ILE . 19.1 t -90.22 -38.01 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 108.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.16 56.32 10.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.778 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -145.64 149.45 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.581 0.812 . . . . 0.0 109.271 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.433 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 12.4 m-20 -57.23 124.5 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.425 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 3.1 m -51.24 -34.75 33.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 108.268 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.507 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -59.7 -25.2 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.77 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -62.29 -15.13 45.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.699 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 17.9 mt -98.73 2.66 47.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.75 11.73 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 82' ' ' SER . 2.0 mm-40 -90.37 -172.33 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.55 -71.28 0.5 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.409 1.068 . . . . 0.0 109.33 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -53.27 126.44 21.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.788 HD11 HD11 ' A' ' 93' ' ' ILE . 2.0 pt -86.43 1.91 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.77 -35.95 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.77 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -75.43 -40.28 57.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -59.66 -40.65 88.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.788 HD11 HD11 ' A' ' 89' ' ' ILE . 7.9 mt -74.95 -52.59 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.488 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 4.4 tp60 -56.23 -43.34 78.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 99' ' ' VAL . 11.1 t -69.85 -53.72 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.347 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -43.6 -48.4 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.546 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 5.1 pttt -72.01 -40.15 68.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.546 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 8.1 tpt180 -63.03 -23.31 67.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 42.9 t -88.71 -57.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.98 -27.37 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -19.34 3.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.5 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -75.52 177.93 2.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.04 1.83 7.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.83 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 83.37 158.59 26.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.773 HD12 HD12 ' A' ' 31' ' ' LEU . 7.8 mm -41.38 -27.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.45 0.735 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 105' ' ' GLY . 7.5 ttt180 -35.28 -34.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 106' ' ' ILE . . . -44.73 -35.73 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.957 ' CE3' HD11 ' A' ' 31' ' ' LEU . 16.0 m-90 -104.62 50.31 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' A' ' 113' ' ' ARG . 12.2 p -42.7 -24.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.474 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -44.44 -49.08 9.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.743 ' CE3' ' CB ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.22 -35.37 73.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 108.085 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -76.07 -9.27 58.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.218 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.01 29.45 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.3 OUTLIER -152.56 -46.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.612 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.891 ' SG ' HD13 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -89.36 -50.27 6.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -63.51 59.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 116' ' ' CYS . 4.9 t30 -156.88 -44.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.51 -170.23 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -96.14 99.41 11.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.891 HD13 ' SG ' ' A' ' 116' ' ' CYS . 0.8 OUTLIER -100.54 17.73 20.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -22.89 56.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 123' ' ' GLN . 8.7 tp60 -72.38 -13.74 61.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -31.0 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.879 HG22 HG21 ' A' ' 29' ' ' VAL . 2.0 pt -99.51 -34.35 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 7.2 tpt180 -82.36 110.36 17.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 160.49 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -24.2 59.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 108.54 33.05 2.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 38' ' ' TYR . 74.3 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.762 ' CZ ' HD13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -158.38 156.88 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.421 ' HA ' ' OD1' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -120.83 -177.78 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.51 -64.75 0.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 7' ' ' GLU . 75.2 m -44.47 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 108.4 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.1 mm-40 -32.26 -65.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.732 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 t80 -44.63 -55.44 5.21 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.423 1.077 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.602 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -49.96 -51.66 39.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.94 -57.54 11.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.1 m -54.55 -54.17 44.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.35 -51.73 18.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HD2' HG11 ' A' ' 130' ' ' VAL . 28.1 tttt -66.17 -29.46 69.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -75.75 -24.74 56.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -89.45 -39.93 13.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.97 45.71 0.74 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.451 ' SD ' ' CD1' ' A' ' 20' ' ' TYR . 48.2 tpp -123.22 -38.35 2.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 0.802 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.605 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -50.13 110.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.72 32.95 23.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.451 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 15.8 t80 -49.22 179.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -36.41 -50.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.16 -60.42 0.2 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.747 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.1 t -49.2 121.39 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.9 t -90.23 147.21 23.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.605 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 16.4 tp -46.08 -45.81 16.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HA ' HG21 ' A' ' 125' ' ' ILE . . . -59.9 -40.2 87.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 5.3 m-20 -65.48 -38.02 88.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.747 ' CE2' HG11 ' A' ' 23' ' ' VAL . 27.7 m95 -63.55 -58.15 7.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.853 HG21 HG22 ' A' ' 125' ' ' ILE . 43.1 t -52.35 -62.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.656 ' CB ' HD23 ' A' ' 121' ' ' LEU . 1.1 p -49.21 -45.45 44.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 108.38 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.537 HD11 ' CG ' ' A' ' 109' ' ' TRP . 33.8 tp -55.53 -54.45 43.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.377 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.26 -18.9 65.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' VAL . 4.5 tp-100 -72.75 -56.64 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -66.87 -19.44 65.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -78.56 -66.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -158.97 -70.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 2.5 t-20 67.32 172.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.865 ' O ' HG13 ' A' ' 2' ' ' VAL . 9.0 m-85 71.62 -58.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 2' ' ' VAL . 12.0 t-20 -134.2 150.13 51.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 1.06 HG22 HD12 ' A' ' 56' ' ' ILE . 10.4 p -111.21 67.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 43' ' ' THR . 34.3 ttm180 -112.98 -2.19 14.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -40.46 102.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.642 HG21 HD11 ' A' ' 85' ' ' LEU . 9.2 p -146.25 115.38 7.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.21 96.9 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.678 ' HA ' HG23 ' A' ' 52' ' ' THR . 28.8 p90 -87.47 155.6 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -161.6 104.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -31.08 62.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -36.5 -36.3 0.15 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -130.37 32.72 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 49' ' ' ASP . 36.4 tp60 35.09 53.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.548 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 85.8 p -145.1 154.79 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.783 HG22 ' CD1' ' A' ' 54' ' ' TYR . 10.9 m -146.5 130.47 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -95.91 92.83 6.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.783 ' CD1' HG22 ' A' ' 52' ' ' THR . 3.2 m-85 -122.21 156.33 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.629 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 100.47 144.32 15.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.06 HD12 HG22 ' A' ' 40' ' ' THR . 16.4 tt -51.63 -31.76 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -89.48 21.25 3.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 38.81 67.36 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.1 mt -93.07 136.42 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.4 m-80 -81.35 131.42 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 6.7 t -83.07 7.23 16.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.548 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 5.0 ptm180 -91.38 11.28 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -151.18 -48.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.073 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CE2' HG22 ' A' ' 99' ' ' VAL . 13.9 m95 -119.88 155.22 33.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.017 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.442 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 61.99 132.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 108.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -161.75 -166.75 1.53 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.411 ' OD2' ' CB ' ' A' ' 69' ' ' LYS . 1.7 t0 -118.58 -53.57 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.26 -2.24 20.67 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' CB ' ' OD2' ' A' ' 67' ' ' ASP . 2.4 tttp -99.25 -8.03 25.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.632 0.842 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.587 ' O ' HG23 ' A' ' 70' ' ' THR . 8.3 t -108.94 103.4 51.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.15 3.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.22 -68.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -173.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -150.54 97.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -67.36 63.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -55.41 -17.92 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 1.4 t -88.18 -29.99 20.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.381 1.051 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 79' ' ' ILE . . . 67.04 53.58 25.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -152.6 149.56 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.561 0.8 . . . . 0.0 109.229 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' SER . 2.2 m-20 -75.64 124.28 26.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.813 ' HA ' HD12 ' A' ' 84' ' ' LEU . 71.8 m -45.85 -27.16 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' ASN . 5.6 t -55.57 -39.17 70.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -18.92 27.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -100.24 13.63 33.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 43' ' ' THR . 0.4 OUTLIER -129.86 23.26 5.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -119.74 -168.09 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.3 -62.12 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.44 112.14 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' ALA . 20.3 pt -86.57 2.41 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.82 -36.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.87 -42.32 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.12 -40.03 88.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.2 mt -71.12 -49.6 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.13 -48.84 75.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -68.33 -41.33 80.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.285 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -50.93 -50.68 57.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 13.1 pttt -69.71 -43.77 71.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.486 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -61.62 -23.29 65.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.54 HG22 ' CE2' ' A' ' 64' ' ' TRP . 14.1 t -85.53 -57.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.66 -28.23 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -52.38 -20.15 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.472 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -78.38 176.59 3.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.227 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -74.97 0.96 8.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -66.97 -60.84 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 107' ' ' ARG . . . 76.54 157.8 7.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.621 HG13 HG22 ' A' ' 23' ' ' VAL . 4.3 mm -39.45 -30.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.241 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 105' ' ' GLY . 25.6 ttt180 -40.11 -36.2 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.26 -35.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.537 ' CG ' HD11 ' A' ' 31' ' ' LEU . 25.4 m-90 -97.88 62.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 113' ' ' ARG . 63.3 t -40.26 -30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -44.87 -50.22 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.01 -39.72 75.28 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.49 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -63.12 -15.4 56.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.395 1.06 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.45 30.92 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.84 -47.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.638 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.4 OUTLIER -89.38 -53.41 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.356 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.77 55.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -141.92 -62.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.57 -170.0 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -88.8 100.08 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.656 HD23 ' CB ' ' A' ' 30' ' ' CYS . 13.1 tp -101.03 20.12 16.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -72.4 -25.34 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.13 -12.49 60.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -28.64 56.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.853 HG22 HG21 ' A' ' 29' ' ' VAL . 1.1 pt -106.0 -31.45 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -78.22 131.52 37.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 72.26 22.5 3.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -89.18 -35.76 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 108.346 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 175.75 -33.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.503 HG11 ' HD2' ' A' ' 13' ' ' LYS . 53.2 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.449 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 95.5 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.587 ' O ' ' N ' ' A' ' 38' ' ' TYR . 2.3 m-85 -164.48 102.62 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 5' ' ' ARG . 7.2 pt-20 -109.46 172.32 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.573 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 15.5 ptt-85 -37.07 -56.61 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.0 m -55.54 -80.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 108.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' CYS . 2.1 mm-40 -34.01 -65.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.601 ' CE1' HG21 ' A' ' 56' ' ' ILE . 8.9 t80 -42.83 -49.6 5.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -55.05 39.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' ARG . 18.3 ttt85 -48.42 -55.69 10.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ASN . 12.5 m -53.96 -54.71 35.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.445 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.59 -53.32 11.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -26.09 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 10' ' ' ARG . 57.6 ttt180 -76.74 -24.32 53.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -89.04 -40.86 12.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.23 50.94 1.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.1 tpt -118.04 -36.46 3.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.573 0.807 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.844 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -62.91 152.47 36.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 85.56 10.76 76.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' GLY . 1.4 t80 -46.94 177.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.76 -55.86 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -122.56 -65.79 0.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 28' ' ' TRP . 4.4 p -45.0 105.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASP . 58.3 p -90.2 161.94 15.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.574 1.171 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.844 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 21.0 tp -43.59 -45.45 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.42 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.55 ' OD1' ' CD1' ' A' ' 112' ' ' TRP . 37.6 t0 -63.17 -39.37 94.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.715 ' CD1' HG22 ' A' ' 23' ' ' VAL . 87.3 m95 -65.87 -59.69 3.6 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.611 HG21 ' CG2' ' A' ' 125' ' ' ILE . 32.4 t -45.6 -56.66 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.53 ' HB3' HD12 ' A' ' 121' ' ' LEU . 5.9 p -57.51 -48.4 79.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 57' ' ' PHE . 2.7 tm? -50.18 -49.68 51.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.646 ' HB2' ' HE1' ' A' ' 57' ' ' PHE . . . -76.22 -20.1 57.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.583 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 4.5 tm0? -66.64 -53.18 36.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.624 ' CG ' ' HB1' ' A' ' 111' ' ' ALA . 3.5 t60 -56.3 -21.71 25.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.2 mm-40 -81.78 -62.52 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER 157.63 72.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.04 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.576 ' CG ' ' O ' ' A' ' 37' ' ' ASN . 5.4 p30 -71.96 107.18 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CZ ' ' HB2' ' A' ' 39' ' ' ASN . 2.5 p90 174.92 -33.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.639 ' HB2' ' CZ ' ' A' ' 38' ' ' TYR . 3.3 m120 -150.38 160.71 43.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.464 ' O ' ' OG1' ' A' ' 40' ' ' THR . 0.7 OUTLIER -119.84 44.7 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 43' ' ' THR . 14.7 ttt180 -114.8 -20.74 10.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' ARG . . . -38.86 106.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.988 HG22 ' HB2' ' A' ' 54' ' ' TYR . 4.8 p -138.54 146.86 42.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.8 m120 -151.39 93.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.423 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 46.5 p90 -92.08 162.51 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -162.47 104.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . 13.9 ttt180 -76.97 -29.58 55.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -32.79 -36.81 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' ARG . 11.1 t0 -139.0 35.13 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.2 tp-100 34.96 55.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.547 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 97.0 p -143.91 110.0 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.567 HG21 ' CE2' ' A' ' 54' ' ' TYR . 1.2 m -105.88 164.22 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -152.0 114.72 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.988 ' HB2' HG22 ' A' ' 43' ' ' THR . 0.1 OUTLIER -152.02 176.73 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.63 156.64 23.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.601 HG21 ' CE1' ' A' ' 8' ' ' PHE . 1.2 mm -47.29 -45.84 9.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.548 0.793 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.646 ' HE1' ' HB2' ' A' ' 32' ' ' ALA . 33.2 m-85 -89.48 16.93 6.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 40.4 71.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 10.6 mt -88.21 143.97 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.436 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 11.4 t-20 -86.6 139.12 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.431 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -92.66 -0.54 57.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.65 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 13.8 ttt-85 -88.76 -29.83 19.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -106.65 -65.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 111.033 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.481 ' O ' ' C ' ' A' ' 65' ' ' CYS . 26.7 m-90 -69.51 -125.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.58 1.175 . . . . 0.0 107.933 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -36.11 150.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.435 ' CG ' ' HB3' ' A' ' 75' ' ' ASN . 1.9 m-20 -135.1 179.25 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -108.46 -56.74 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.17 -4.56 26.94 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -95.99 -10.04 29.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 0.736 . . . . 0.0 109.237 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 70' ' ' THR . 3.4 t -130.27 92.16 36.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.38 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 55.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.42 -46.35 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.65 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -57.82 -164.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 63' ' ' TYR . 3.1 p -150.25 84.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.379 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 38.7 p-10 -55.7 99.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.56 -21.85 41.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.39 -32.78 16.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.41 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.23 57.68 10.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.41 ' CG2' ' C ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER -148.86 162.24 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.03 130.4 40.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 61' ' ' SER . 1.3 m -63.4 -37.42 87.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -26.58 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.465 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -63.06 -26.4 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 84' ' ' LEU . 3.3 mt -91.89 6.95 44.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.252 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.01 24.81 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.61 -164.55 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -60.94 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.38 161.99 15.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 92' ' ' ALA . 3.5 pt -103.02 6.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -43.76 -34.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.5 -40.25 67.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -64.62 -37.72 88.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 12.7 mt -71.87 -48.99 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -55.38 -49.23 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.676 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.6 t -68.27 -44.18 76.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.415 1.072 . . . . 0.0 108.288 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -51.44 -50.02 60.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -68.63 -40.76 80.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.395 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.53 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 2.0 tpt180 -66.22 -20.57 66.16 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 95' ' ' CYS . 42.7 t -86.83 -54.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.603 HG22 HG12 ' A' ' 106' ' ' ILE . 70.2 t -58.76 -34.84 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -67.4 -15.4 63.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.527 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -83.67 179.13 2.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.527 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.91 3.8 5.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -78.02 -62.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 75.9 149.84 2.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.696 HD13 ' CZ3' ' A' ' 109' ' ' TRP . 2.6 mm -42.31 -28.59 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.218 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 105' ' ' GLY . 3.8 ttt180 -39.75 -36.3 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.367 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.8 -35.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.696 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 12.2 m-90 -96.87 65.82 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 108.028 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 113' ' ' ARG . 8.7 p -40.33 -29.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.624 ' HB1' ' CG ' ' A' ' 34' ' ' HIS . . . -43.78 -51.17 7.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.55 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -55.61 -40.61 72.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 107.983 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 110' ' ' VAL . 18.4 ttt85 -61.0 -14.47 23.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.34 33.84 4.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -150.61 -45.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.478 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.0 -54.18 4.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.307 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 56.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -148.16 -58.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.42 -169.75 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.15 101.54 14.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.895 ' O ' HD13 ' A' ' 121' ' ' LEU . 1.9 tm? -90.72 9.84 28.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -23.57 53.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -69.31 -13.69 62.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -77.42 -33.25 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.611 ' CG2' HG21 ' A' ' 29' ' ' VAL . 7.7 pt -92.7 -35.79 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.7 OUTLIER -60.19 109.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 51.9 t30 81.6 25.22 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -93.57 -34.79 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 171.72 -33.08 0.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.245 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 38' ' ' TYR . 11.5 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 38' ' ' TYR . 33.2 m-85 -134.69 116.25 14.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.84 169.34 8.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 -68.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -45.38 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 108.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -35.01 -66.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.345 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.452 ' CD1' HD13 ' A' ' 12' ' ' LEU . 3.7 t80 -41.85 -49.62 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.19 -56.04 27.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -50.0 -57.13 8.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.0 m -51.03 -53.8 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.705 HD21 ' CD1' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -48.85 -57.36 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -63.39 -23.53 67.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 10' ' ' ARG . 5.8 tpt180 -80.03 -25.14 40.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.1 t30 -89.14 -43.38 11.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.46 40.75 0.84 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' A' ' 20' ' ' TYR . 32.8 tpp -121.1 -37.46 2.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 0.819 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.036 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -43.16 105.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 97.6 31.5 6.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.599 1.187 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 4.4 t80 -44.22 174.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.63 -32.48 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.52 1.137 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -150.02 -43.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.657 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 27.9 t -67.11 114.69 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.87 156.19 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 0.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.036 HD22 ' HB1' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -54.86 -37.08 65.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.07 -53.73 53.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.701 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -64.31 -35.22 80.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.705 ' CD1' HD21 ' A' ' 12' ' ' LEU . 9.6 m95 -57.26 -53.63 55.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 107.982 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' GLN . 87.0 t -60.98 -54.75 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -51.15 -45.64 61.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.73 HD11 ' CD2' ' A' ' 109' ' ' TRP . 13.5 tp -60.86 -60.98 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.1 -27.64 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 38' ' ' TYR . 16.0 tp60 -69.61 -54.23 14.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.776 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 3.3 t60 -55.68 -26.32 44.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.647 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 5.5 mm-40 -80.65 -64.59 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.44 -67.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.633 ' HA ' HD11 ' A' ' 56' ' ' ILE . 18.1 t30 57.58 -164.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.635 ' CE2' ' NE2' ' A' ' 33' ' ' GLN . 33.5 m-85 62.81 -61.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -135.24 127.98 31.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.491 HG22 HD12 ' A' ' 56' ' ' ILE . 53.3 p -69.68 57.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -109.4 2.75 20.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -54.25 98.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 1.007 HG22 ' CD2' ' A' ' 54' ' ' TYR . 3.0 p -148.53 123.97 10.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -150.5 100.53 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.405 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 45.4 p90 -88.8 154.21 20.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -161.34 105.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -30.92 56.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.82 -44.15 1.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -121.67 30.56 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 0.728 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' ASP . 52.3 tp60 36.66 47.42 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 p -135.07 150.6 50.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.648 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.7 m -142.84 132.43 23.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -103.31 99.34 9.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 1.007 ' CD2' HG22 ' A' ' 43' ' ' THR . 4.5 m-85 -128.0 158.82 36.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 101.61 148.15 21.04 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 37' ' ' ASN . 9.4 tt -51.64 -33.13 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . 18.3 m-85 -91.69 20.3 5.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' GLY . 2.0 tp60 39.04 66.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.5 mt -89.26 137.1 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.582 ' ND2' ' CZ3' ' A' ' 64' ' ' TRP . 1.4 p30 -81.0 132.3 35.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.408 1.068 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.1 t -90.39 14.85 11.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -19.32 26.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . 1.7 m-85 -134.53 -47.96 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.582 ' CZ3' ' ND2' ' A' ' 60' ' ' ASN . 6.2 m0 -93.57 159.66 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.664 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.7 OUTLIER 52.33 177.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -151.69 -169.49 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -129.19 -50.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.96 -0.0 10.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -145.36 35.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 70' ' ' THR . 3.2 t -132.64 83.21 54.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 53.66 3.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -150.47 -50.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.99 160.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 74' ' ' VAL . 5.2 p -120.72 49.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' VAL . 38.0 p-10 -37.38 101.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB3' ' HD1' ' A' ' 64' ' ' TRP . . . -81.91 -19.82 40.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.637 1.21 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.633 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.0 t -88.94 -32.5 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.452 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.21 50.92 54.31 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.538 1.149 . . . . 0.0 111.066 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -151.14 145.08 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -64.19 124.91 22.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.837 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -51.58 -25.72 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -33.07 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.955 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.92 43.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 81' ' ' CYS . 2.2 mt -100.35 2.41 42.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.748 HD11 HG23 ' A' ' 43' ' ' THR . 0.4 OUTLIER -115.41 20.33 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -95.33 -163.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -87.23 -50.74 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -73.4 118.4 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ALA . 18.2 pt -82.21 2.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -43.24 -40.73 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.85 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.588 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.31 -39.33 92.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.171 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 15.7 mt -73.81 -51.75 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.427 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 20.3 tt0 -55.69 -43.09 76.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.3 t -73.03 -43.41 62.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -53.22 -40.03 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 11.1 ptmt -77.87 -44.29 27.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.48 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.1 tpt85 -59.45 -26.58 65.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.491 HG13 ' CE2' ' A' ' 64' ' ' TRP . 44.1 t -89.91 -56.1 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.395 1.06 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 102' ' ' ASP . 3.3 t -52.36 -28.49 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -45.29 -23.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -67.6 176.69 1.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -74.95 -26.83 10.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -87.93 -63.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.431 ' CA ' ' HA ' ' A' ' 100' ' ' VAL . . . 46.67 -116.51 2.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.68 HG23 ' CE3' ' A' ' 112' ' ' TRP . 8.1 mm -43.64 -42.3 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.49 -32.11 3.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.93 -34.09 58.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.73 ' CD2' HD11 ' A' ' 31' ' ' LEU . 6.3 m-90 -98.82 62.73 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 108.024 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 109' ' ' TRP . 7.9 p -39.17 -35.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.776 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -39.51 -52.4 2.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.701 ' CZ2' ' HB3' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -48.29 -59.76 3.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 1.183 . . . . 0.0 107.945 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.53 -18.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 111' ' ' ALA . . . -127.39 34.5 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 16.7 t60 -150.82 -55.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.583 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -87.51 -52.26 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.22 57.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' CYS . 3.8 t30 -149.35 -50.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.42 -170.49 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -91.22 104.1 16.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.959 ' O ' HD13 ' A' ' 121' ' ' LEU . 2.1 tm? -89.3 13.45 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 t -79.38 -16.5 56.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.7 -12.64 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.203 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.64 -38.62 25.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.8 pt -88.75 -38.74 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.422 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 5.4 tpt180 -63.31 99.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER 161.71 -27.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -24.36 60.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 101.03 28.73 6.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.801 ' CD1' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -145.8 135.52 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.981 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.52 160.39 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.83 -65.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.525 ' O ' ' C ' ' A' ' 7' ' ' GLU . 78.3 m -45.52 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 108.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -28.92 -68.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.843 ' CE1' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -44.67 -53.49 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . -50.6 -51.73 45.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -57.57 -52.51 65.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ASN . 11.4 m -57.59 -55.56 33.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.752 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -48.82 -50.26 35.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -65.25 -31.07 72.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -76.94 -23.27 52.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.1 t-20 -88.61 -40.23 13.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.2 65.74 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.105 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.3 tpp -149.38 -42.25 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 111.082 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.946 ' HB1' HD13 ' A' ' 25' ' ' LEU . . . -55.45 118.19 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.4 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.6 26.64 41.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.598 1.186 . . . . 0.0 111.061 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 21' ' ' TYR . 27.0 t80 -48.55 178.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -36.14 -53.09 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -116.65 -57.86 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.713 HG11 ' CE2' ' A' ' 28' ' ' TRP . 5.3 t -47.2 120.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 0.768 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -90.12 141.75 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.946 HD13 ' HB1' ' A' ' 18' ' ' ALA . 14.9 tp -43.94 -43.08 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.76 97.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.641 ' OD2' HG21 ' A' ' 106' ' ' ILE . 57.2 t0 -64.3 -39.17 93.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.713 ' CE2' HG11 ' A' ' 23' ' ' VAL . 28.5 m95 -61.3 -59.61 5.02 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 25' ' ' LEU . 38.5 t -57.53 -59.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.443 ' SG ' HD22 ' A' ' 121' ' ' LEU . 13.9 t -46.78 -56.74 5.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 108.299 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.823 HD13 HD12 ' A' ' 106' ' ' ILE . 5.3 tt -47.9 -52.37 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -63.83 -24.04 67.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' VAL . 2.0 tt0 -70.89 -53.73 14.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -64.16 -24.2 67.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -75.87 -63.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -154.9 -71.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.055 . . . . 0.0 110.051 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.666 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . 3.4 t30 60.67 166.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.578 ' O ' HG22 ' A' ' 2' ' ' VAL . 1.7 m-85 64.55 -60.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 37' ' ' ASN . 9.1 m120 -112.73 146.51 38.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.53 HG22 HD11 ' A' ' 56' ' ' ILE . 1.5 p -121.89 52.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.466 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -119.01 8.32 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.09 107.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 54' ' ' TYR . 0.8 OUTLIER -143.02 130.19 20.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.0 m-80 -150.28 91.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.748 ' HA ' HG23 ' A' ' 52' ' ' THR . 34.3 p90 -88.47 155.81 19.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -159.2 104.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -78.11 -30.77 49.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.82 -36.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -135.15 33.86 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' ASP . 38.8 tp60 34.32 55.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.529 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 19.5 p -144.1 103.75 4.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.748 HG23 ' HA ' ' A' ' 45' ' ' TYR . 20.2 m -98.96 128.58 45.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.1 m-20 -110.23 106.2 15.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.699 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.6 p90 -153.5 166.15 33.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.18 152.06 9.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.53 HD11 HG22 ' A' ' 40' ' ' THR . 0.2 OUTLIER -51.23 -29.18 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -105.01 16.67 25.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 41.82 84.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.75 146.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' A' ' 52' ' ' THR . 2.7 t-20 -91.84 142.28 27.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' THR . 29.7 t -91.63 4.79 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.529 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.07 -11.28 44.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -131.4 -42.95 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.919 ' CD1' HG22 ' A' ' 99' ' ' VAL . 30.1 m-90 -108.67 166.32 10.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.814 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 57.86 160.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.345 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -145.83 -169.28 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -133.2 -56.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.48 -0.1 30.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -120.92 5.29 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 70' ' ' THR . 14.5 t -146.67 91.89 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.85 5.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.52 -50.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.57 146.31 49.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 74' ' ' VAL . 7.4 p -104.85 58.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -40.28 98.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.95 -13.71 57.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.475 ' HB3' HD12 ' A' ' 79' ' ' ILE . 3.3 t -90.53 -35.23 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.7 54.91 16.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.814 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -147.04 155.95 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.664 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 2.2 m-80 -63.36 130.7 45.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.443 ' CA ' ' OH ' ' A' ' 54' ' ' TYR . 22.0 m -55.43 -45.19 76.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -21.94 12.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -63.28 -22.6 66.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.699 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 75.0 mt -96.75 12.05 33.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.51 28.4 4.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.92 -163.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -64.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.13 155.52 38.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 8' ' ' PHE . 22.6 pt -95.73 7.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.11 -39.92 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.76 -37.92 67.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.62 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.11 -37.15 84.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 14.1 mt -75.34 -54.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 11.9 tm0? -54.9 -45.13 74.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' VAL . 7.2 t -69.41 -53.11 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -43.89 -45.1 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 1.3 pttt -74.25 -41.25 61.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.5 tpt180 -62.92 -23.58 67.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.919 HG22 ' CD1' ' A' ' 64' ' ' TRP . 39.5 t -89.0 -58.21 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.723 HG21 HG12 ' A' ' 106' ' ' ILE . 0.3 OUTLIER -53.26 -31.89 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 101' ' ' ARG . 1.0 OUTLIER -44.95 -28.25 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 110.321 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.482 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -53.3 177.54 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.04 -25.86 11.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.444 ' CG ' ' HB3' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -52.63 -92.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.462 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 125.45 163.54 11.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.823 HD12 HD13 ' A' ' 31' ' ' LEU . 2.2 mm -39.7 -29.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 105' ' ' GLY . 1.7 tmm_? -37.73 -37.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.575 ' CE3' HD13 ' A' ' 106' ' ' ILE . 24.7 m-90 -95.85 49.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 108.004 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' ARG . 9.5 p -39.46 -29.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' TRP . . . -40.64 -51.27 3.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.687 ' CE3' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.64 -47.22 82.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 108.027 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -68.46 -7.41 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.0 32.01 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.6 OUTLIER -151.76 -51.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.648 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.832 ' SG ' HD22 ' A' ' 121' ' ' LEU . 1.3 m -89.19 -55.89 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 108.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 116' ' ' CYS . 2.1 tp60 -35.3 -32.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 116' ' ' CYS . 15.7 t30 -50.93 -53.92 28.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 116' ' ' CYS . 1.0 OUTLIER -130.23 -168.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -95.51 102.75 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.832 HD22 ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -97.02 18.57 14.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.0 m -68.98 -17.95 64.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -76.27 -8.53 57.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -75.28 -27.97 59.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.722 HG21 ' HG ' ' A' ' 25' ' ' LEU . 1.7 pt -103.96 -29.0 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 1.4 tpt180 -71.6 119.74 16.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 48.4 t30 82.26 26.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -98.65 -31.21 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 114.86 36.35 1.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.317 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.0 t . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.824 ' OH ' HG21 ' A' ' 11' ' ' THR . 0.3 OUTLIER -127.53 106.28 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 5' ' ' ARG . 10.5 pt-20 -100.9 165.61 11.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.53 1.144 . . . . 0.0 110.238 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.541 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -37.52 -57.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.7 m -55.08 -80.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -33.52 -64.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.38 1.05 . . . . 0.0 110.281 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.524 ' CE2' ' CB ' ' A' ' 32' ' ' ALA . 10.2 t80 -45.03 -50.28 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -56.47 -51.78 67.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' HB2' HG22 ' A' ' 130' ' ' VAL . 29.4 ttp180 -51.48 -55.1 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.824 HG21 ' OH ' ' A' ' 3' ' ' TYR . 19.8 m -55.88 -56.39 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.437 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.46 -51.74 11.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -69.33 -26.31 64.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.5 tpt85 -74.28 -25.83 59.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -89.64 -39.93 12.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.61 43.94 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.61 -38.04 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 110.993 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.949 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -49.2 105.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 87.43 34.93 9.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.411 1.069 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 21' ' ' TYR . 44.0 t80 -48.31 179.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 0.79 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.508 ' HB2' ' CD2' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -32.0 -54.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.03 -65.11 0.27 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.616 HG11 ' CE2' ' A' ' 28' ' ' TRP . 23.3 t -40.6 129.23 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.29 156.62 18.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.949 HD13 ' CB ' ' A' ' 18' ' ' ALA . 33.8 tp -61.46 -46.3 90.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -55.78 -46.8 77.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.419 1.074 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.609 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 25.8 m-20 -66.83 -35.87 81.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.182 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.616 ' CE2' HG11 ' A' ' 23' ' ' VAL . 2.2 m95 -58.79 -50.18 74.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.637 HG21 HG22 ' A' ' 125' ' ' ILE . 6.7 t -63.0 -59.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.627 ' HB2' HD23 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -48.83 -49.75 37.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.247 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.893 HD11 ' CG ' ' A' ' 109' ' ' TRP . 25.3 tp -53.11 -54.2 39.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.524 ' CB ' ' CE2' ' A' ' 8' ' ' PHE . . . -60.52 -27.23 67.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.52 -54.37 17.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.616 1.198 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.427 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 21.2 t-80 -61.2 -22.77 65.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.1 -59.26 2.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.1 t -170.5 -65.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.555 ' HA ' HD11 ' A' ' 56' ' ' ILE . 21.0 t30 46.12 -159.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.7 m-85 58.58 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.066 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.2 m120 -108.86 140.21 42.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.8 p -91.38 51.42 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 0.0 110.412 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -123.1 17.6 9.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.502 ' HB3' ' C ' ' A' ' 55' ' ' GLY . . . -54.93 93.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.915 HG22 ' CD2' ' A' ' 54' ' ' TYR . 3.1 p -145.76 116.24 7.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -150.58 101.25 2.93 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.416 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 25.3 p90 -87.9 160.94 17.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -159.18 103.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -72.4 -32.75 66.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.34 -34.95 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -137.16 34.71 2.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 tp60 36.37 40.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 45.1 p -122.78 151.71 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.565 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.2 m -143.82 130.83 20.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.439 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -100.9 97.28 7.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.915 ' CD2' HG22 ' A' ' 43' ' ' THR . 3.2 m-85 -125.39 160.18 30.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.502 ' C ' ' HB3' ' A' ' 42' ' ' ALA . . . 96.41 143.89 15.8 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.53 1.143 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 37' ' ' ASN . 11.9 tt -51.05 -29.75 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' GLN . 26.7 m-85 -89.71 20.32 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 37.46 64.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 mt -91.16 137.0 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.7 OUTLIER -81.67 137.45 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 52' ' ' THR . 1.5 m -91.26 4.34 52.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.489 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.61 -4.28 58.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.34 -54.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.602 ' CD1' HG22 ' A' ' 99' ' ' VAL . 11.7 m-90 -105.18 134.79 47.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 107.958 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.506 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 63.15 133.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 108.337 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.653 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -161.22 -171.03 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.653 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 6.2 t70 94.83 -10.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.5 -2.42 34.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -150.99 -68.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 13.7 t -149.99 137.26 11.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.482 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 70' ' ' THR . 18.4 Cg_endo -74.95 58.53 4.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 73' ' ' ALA . 9.4 ttt85 -110.49 -39.61 4.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.577 ' HB3' ' OD1' ' A' ' 66' ' ' ASN . . . -52.63 -174.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.24 73.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -55.33 100.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . . . -76.69 -20.29 56.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.375 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.596 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.4 t -91.63 -29.71 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.441 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.8 53.09 32.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 77' ' ' CYS . 0.1 OUTLIER -150.58 164.83 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.474 0.75 . . . . 0.0 109.307 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.39 127.9 34.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.5 ' HA ' HD12 ' A' ' 84' ' ' LEU . 77.5 m -51.98 -31.05 27.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 108.313 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 p -53.02 -36.5 60.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.43 -28.78 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 81' ' ' CYS . 0.9 OUTLIER -98.37 10.61 40.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -115.82 26.88 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -118.06 -167.29 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -78.53 -64.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -53.46 116.33 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ALA . 37.5 pt -81.76 2.57 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -43.15 -35.66 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.21 -42.0 60.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.05 -40.67 90.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 7.9 mt -72.54 -50.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 1.4 tm0? -56.28 -45.12 80.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.618 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.8 t -70.0 -42.83 72.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 108.253 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -52.75 -46.05 67.31 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -71.2 -44.91 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -62.23 -22.69 66.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 95' ' ' CYS . 39.9 t -85.65 -56.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -31.23 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -25.8 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.492 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.1 177.49 1.72 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.05 0.37 9.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -66.14 -61.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.458 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 76.16 160.06 9.48 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.581 1.176 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.749 HG21 ' CZ3' ' A' ' 112' ' ' TRP . 1.4 mm -39.64 -29.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 0.722 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -41.74 -38.37 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.221 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.4 -37.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.893 ' CG ' HD11 ' A' ' 31' ' ' LEU . 32.4 m-90 -92.12 56.19 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.047 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 109' ' ' TRP . 5.4 p -34.66 -36.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -42.04 -56.74 2.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.749 ' CZ3' HG21 ' A' ' 106' ' ' ILE . 0.9 OUTLIER -51.01 -58.32 6.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -50.03 -18.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 112' ' ' TRP . . . -129.12 34.75 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 3.7 t-80 -151.04 -54.59 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.651 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.593 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -87.37 -48.62 7.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 108.338 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -69.47 57.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' CYS . 5.7 t-20 -147.73 -54.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.09 -170.4 2.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -95.36 100.3 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 124' ' ' TYR . 6.6 tp -101.24 21.05 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.6 m -73.11 -28.25 62.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.62 -10.96 56.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.664 ' CD1' HD11 ' A' ' 121' ' ' LEU . 1.1 t80 -76.86 -27.1 54.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.637 HG22 HG21 ' A' ' 29' ' ' VAL . 1.4 pp -112.89 -33.06 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -76.33 119.28 20.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 4.2 t-20 80.23 26.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -83.99 -28.1 27.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 114.23 35.15 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.43 HG22 ' HB2' ' A' ' 10' ' ' ARG . 22.4 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 2' ' ' VAL . 13.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 38' ' ' TYR . 47.1 m-85 -137.61 130.7 30.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 5' ' ' ARG . 15.9 pt-20 -121.23 175.65 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.267 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -32.74 -61.26 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -51.29 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.248 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -33.63 -66.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.496 ' CZ ' ' CZ ' ' A' ' 57' ' ' PHE . 0.3 OUTLIER -39.03 -50.58 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.527 ' HB2' ' CG2' ' A' ' 29' ' ' VAL . . . -60.79 -56.14 24.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -48.05 -57.22 6.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 15' ' ' ASN . 8.1 m -53.37 -52.29 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.461 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.46 -53.88 12.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -66.17 -27.74 68.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -76.5 -25.37 54.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -89.15 -42.27 11.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.5 43.01 2.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.43 ' CE ' ' CZ2' ' A' ' 28' ' ' TRP . 1.4 tmm? -111.62 -31.31 7.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 0.753 . . . . 0.0 111.061 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -67.28 150.73 48.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 85.05 12.4 74.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' GLY . 1.8 t80 -46.33 176.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.09 -56.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -119.31 -66.28 0.29 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.609 HG22 ' CD1' ' A' ' 28' ' ' TRP . 6.1 p -45.53 110.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.6 m -91.22 164.8 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.073 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.882 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 31.6 tp -49.48 -43.94 45.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.62 98.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 49.1 m-20 -62.4 -40.24 95.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CD1' HG22 ' A' ' 23' ' ' VAL . 73.8 m95 -64.98 -61.17 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.846 HG21 HG22 ' A' ' 125' ' ' ILE . 85.2 t -50.27 -58.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.861 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -51.94 -42.68 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 108.329 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.922 HD22 HD12 ' A' ' 106' ' ' ILE . 9.8 tp -59.62 -59.52 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -59.37 -22.49 61.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.4 OUTLIER -71.83 -55.87 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.91 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.1 t-80 -60.89 -24.64 66.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.569 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.5 mm-40 -72.56 -63.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.68 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 1.3 m 155.05 69.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.937 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.783 ' O ' ' HB3' ' A' ' 38' ' ' TYR . 8.3 p30 -61.74 136.28 57.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.783 ' HB3' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER 154.7 -124.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.568 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -92.63 139.56 30.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.4 p -70.74 53.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -100.68 0.46 39.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -53.53 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 1.002 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.3 p -142.39 119.91 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -150.16 97.28 2.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.684 ' HA ' HG23 ' A' ' 52' ' ' THR . 50.1 p90 -87.99 160.46 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' SER . 78.5 m-20 -162.05 105.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -34.95 63.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -39.77 -40.04 1.48 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -119.97 31.17 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' ASP . 16.1 pt20 31.87 47.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.496 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 54.1 m -142.25 154.3 44.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.76 HG22 ' CD1' ' A' ' 54' ' ' TYR . 6.2 m -142.07 132.02 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.46 96.35 7.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 1.002 ' CD2' HG22 ' A' ' 43' ' ' THR . 3.9 m-85 -125.33 159.33 32.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.599 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 103.69 151.56 22.4 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 tt -54.27 -38.11 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.496 ' CZ ' ' CZ ' ' A' ' 8' ' ' PHE . 19.1 m-85 -89.21 23.65 2.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 38.8 67.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.7 mt -93.01 138.76 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.8 OUTLIER -79.6 128.0 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 10.4 m -88.05 15.19 7.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 110.016 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.496 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.24 -11.28 44.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.6 t80 -139.76 -47.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.592 1.183 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.443 ' CD1' HG22 ' A' ' 99' ' ' VAL . 8.3 m-90 -93.75 143.95 25.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 108.01 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 58.17 160.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 1.4 m-20 -146.36 -172.27 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -138.07 -55.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.05 -3.11 14.41 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.73 -19.98 22.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.753 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 70' ' ' THR . 1.4 t -124.82 94.76 43.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 57.94 4.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.18 -45.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.83 176.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 74' ' ' VAL . 2.6 p -142.86 64.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 9.2 p-10 -40.3 99.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' TYR . . . -75.49 -20.76 58.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.424 ' SG ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -89.27 -26.11 21.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.28 45.44 96.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.424 HD13 ' SG ' ' A' ' 77' ' ' CYS . 0.0 OUTLIER -138.17 153.56 26.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 83' ' ' ALA . 11.0 p-10 -69.16 119.02 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.766 ' HA ' HD12 ' A' ' 84' ' ' LEU . 33.2 m -46.83 -28.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.317 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -37.41 71.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 80' ' ' ASN . . . -57.85 -20.98 40.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.766 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.4 mt -94.15 6.53 48.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.683 HD11 HG23 ' A' ' 43' ' ' THR . 0.1 OUTLIER -136.74 34.75 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -113.22 -157.32 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 110.376 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -59.11 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -71.88 118.52 14.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 92' ' ' ALA . 15.4 pt -81.1 1.79 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.4 t -40.96 -36.84 0.71 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.575 1.172 . . . . 0.0 110.448 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.59 -43.77 53.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.641 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.02 -37.86 80.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.474 HD11 HD11 ' A' ' 89' ' ' ILE . 10.6 mt -73.76 -52.15 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.465 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 1.5 tt0 -57.29 -45.9 83.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.9 t -68.64 -45.43 71.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 108.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.36 -51.33 35.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 7.9 pttt -69.86 -40.49 75.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.503 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 18.6 ttt180 -62.83 -22.34 66.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 24.1 t -88.81 -57.63 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.446 HG22 ' HZ3' ' A' ' 109' ' ' TRP . 77.4 t -58.72 -24.76 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 101' ' ' ARG . 5.0 mtp-105 -60.53 -13.15 12.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -61.25 169.77 2.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 49.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.31 -86.6 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 107' ' ' ARG . . . 127.11 168.05 12.45 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.922 HD12 HD22 ' A' ' 31' ' ' LEU . 2.4 mm -39.91 -29.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 106' ' ' ILE . 3.9 tmt_? -33.77 -36.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 106' ' ' ILE . . . -40.24 -37.09 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.492 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 24.1 m-90 -96.14 65.58 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.026 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 113' ' ' ARG . 73.7 t -40.1 -30.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.91 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -45.27 -49.52 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.486 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -57.49 -39.0 75.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 108.051 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.486 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 32.2 ttt-85 -61.7 -15.31 39.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.85 31.49 5.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.52 -46.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.447 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.78 -53.39 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -71.24 56.98 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -146.84 -60.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 -169.91 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -93.17 101.32 13.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.861 HD22 ' HB3' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -96.3 15.19 21.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.21 -24.88 61.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -69.65 -13.21 62.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.528 ' CE2' ' HG3' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -77.55 -30.82 52.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.846 HG22 HG21 ' A' ' 29' ' ' VAL . 23.2 pt -89.7 -41.19 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -72.62 101.26 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.0 OUTLIER 160.67 -25.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.381 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -25.81 62.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.62 30.82 3.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.368 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 52.0 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.85 ' CE1' ' CG ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -151.73 139.5 19.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 5' ' ' ARG . 12.4 pt-20 -111.66 160.78 16.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -35.26 -59.15 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 7' ' ' GLU . 79.7 m -50.35 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.6 mm-40 -30.67 -66.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.359 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.85 ' CG ' ' CE1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -44.36 -53.68 6.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.69 51.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -54.46 -59.15 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 15' ' ' ASN . 20.1 m -52.04 -55.22 22.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.098 . . . . 0.0 110.362 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -54.08 10.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -64.51 -27.47 68.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -78.47 -22.42 47.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 11' ' ' THR . 7.7 t30 -88.95 -40.39 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.54 38.76 1.06 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.543 ' HE2' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -120.17 -35.49 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.851 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -52.1 102.24 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 90.29 34.98 7.72 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.543 ' CD1' ' HE2' ' A' ' 17' ' ' MET . 25.9 t80 -47.49 177.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.35 -59.33 0.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.401 1.063 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.44 -63.72 0.49 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.784 HG11 ' CE2' ' A' ' 28' ' ' TRP . 12.6 t -45.58 125.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 t -90.25 144.09 26.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.165 . . . . 0.0 110.014 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.851 HD13 ' CB ' ' A' ' 18' ' ' ALA . 15.9 tp -45.85 -44.53 14.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.33 89.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 61.2 m-20 -64.7 -37.78 88.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.784 ' CE2' HG11 ' A' ' 23' ' ' VAL . 25.3 m95 -63.94 -60.31 3.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' GLN . 17.3 t -52.4 -60.33 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.962 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -48.98 -45.46 42.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.338 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.615 HD22 ' CD1' ' A' ' 106' ' ' ILE . 18.5 tp -58.13 -66.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.704 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.34 -27.5 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' HA ' ' HB2' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -68.74 -52.77 27.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -73.11 -20.21 60.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.59 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' A' ' 109' ' ' TRP . 4.2 mm-40 -73.59 -61.91 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.427 ' OG ' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -153.75 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.598 ' OD1' ' CE1' ' A' ' 3' ' ' TYR . 14.4 t-20 71.63 170.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 3' ' ' TYR . 55.3 m-85 60.57 -115.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.18 131.5 34.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 1.008 HG22 HD13 ' A' ' 56' ' ' ILE . 17.8 p -82.77 60.77 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' THR . 2.3 ttt-85 -92.29 -5.23 52.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.427 ' HB2' ' OG ' ' A' ' 36' ' ' SER . . . -50.42 93.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 54' ' ' TYR . 11.6 p -139.84 135.75 33.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.13 99.02 2.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.409 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 39.3 p90 -88.94 149.32 23.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 51' ' ' SER . 79.0 m-20 -161.39 100.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -77.72 -30.34 51.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 110.388 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.94 -33.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.3 t0 -135.49 33.39 3.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 0.757 . . . . 0.0 109.377 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER 35.53 51.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.53 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 50.0 p -138.54 147.82 43.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 60' ' ' ASN . 1.2 m -139.82 133.22 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.88 101.59 10.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.668 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -153.55 166.01 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 110.987 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.59 159.18 10.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.564 1.165 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.008 HD13 HG22 ' A' ' 40' ' ' THR . 10.7 tp -51.97 -35.79 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.659 ' CD2' HG23 ' A' ' 56' ' ' ILE . 63.1 m-85 -109.69 26.35 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 42.09 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.1 mt -118.44 152.05 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.7 OUTLIER -88.52 133.58 34.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.412 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 27.5 t -90.54 6.17 44.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.954 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.53 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 36.9 ttt-85 -88.82 -14.85 36.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.45 -39.52 1.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.868 ' CZ3' ' HB3' ' A' ' 76' ' ' ALA . 88.6 m95 -106.5 158.68 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.557 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 58.8 158.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 108.282 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.487 ' HB2' ' CB ' ' A' ' 75' ' ' ASN . 10.9 t30 -135.92 -170.99 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 27.5 t0 -132.16 -46.39 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.11 -2.54 55.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -120.69 -1.03 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.583 0.813 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -128.2 90.16 47.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.423 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.72 4.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.778 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.62 -59.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.81 161.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 74' ' ' VAL . 7.6 p -120.1 62.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 5.3 p-10 -49.06 101.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.868 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -86.69 -10.6 53.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.0 t -89.31 -38.48 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.01 57.69 7.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -147.75 165.26 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.578 0.811 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.448 ' N ' HG12 ' A' ' 79' ' ' ILE . 11.4 m-80 -74.3 121.04 20.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.441 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 8.3 m -49.83 -37.89 32.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 108.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -54.59 -22.68 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.06 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -64.3 -14.74 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.668 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 20.8 mt -101.27 12.51 37.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.62 13.24 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -96.88 -170.53 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -84.25 -72.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -47.37 133.23 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.453 HD12 ' CE1' ' A' ' 8' ' ' PHE . 16.0 pt -92.58 0.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.3 t -45.24 -40.77 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.439 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -69.56 -37.71 77.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.635 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -63.58 -39.32 94.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 32.6 mt -70.75 -51.72 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -54.69 -49.49 70.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.5 OUTLIER -67.39 -40.95 85.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.886 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -51.26 -50.03 60.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 94' ' ' GLN . 2.8 pttt -69.04 -45.66 69.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.434 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 7.5 ttt85 -60.3 -22.67 63.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 7.8 t -85.66 -56.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 96' ' ' ALA . 13.4 t -58.1 -25.18 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -20.31 22.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.5 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -71.9 177.17 1.8 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.4 Cg_endo -75.0 0.43 8.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.25 -61.5 1.89 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 106' ' ' ILE . . . 80.38 152.57 8.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.615 ' CD1' HD22 ' A' ' 31' ' ' LEU . 1.3 mm -40.07 -34.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.54 -37.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.07 -36.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.408 ' C ' ' N ' ' A' ' 111' ' ' ALA . 21.6 m-90 -95.47 62.69 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 113' ' ' ARG . 36.4 t -41.63 -28.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -46.86 -50.31 18.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -36.28 69.47 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -68.16 -14.63 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.02 31.02 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.83 -44.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 109.615 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -54.87 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 108.353 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -17.76 7.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -57.61 -67.25 0.35 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -136.98 -158.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -91.34 105.62 17.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.962 HD12 ' HB3' ' A' ' 30' ' ' CYS . 1.2 tm? -97.46 17.07 18.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.7 t -75.59 -28.69 59.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -63.02 -12.51 26.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -76.28 -30.0 57.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 128' ' ' CYS . 7.7 pt -95.16 -35.22 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 7.5 tpm_? -74.2 122.07 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 8.0 t-20 78.86 24.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -88.07 -28.6 21.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.311 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 109.35 36.11 2.17 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.552 1.157 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.325 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 68.1 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 1.091 ' CZ ' HG22 ' A' ' 89' ' ' ILE . 7.2 m-30 -105.62 100.61 10.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.41 ' HG2' ' HB2' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -94.15 152.59 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.421 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 11.3 ptt-85 -46.11 -58.82 3.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -46.57 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -33.09 -65.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.636 ' CE1' ' CD1' ' A' ' 12' ' ' LEU . 32.5 t80 -45.66 -52.5 10.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.67 -52.44 63.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -51.2 -64.39 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.536 ' O ' ' N ' ' A' ' 15' ' ' ASN . 18.1 m -46.11 -52.94 11.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.636 ' CD1' ' CE1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -48.31 -60.31 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -59.37 -24.86 63.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -84.12 -19.95 33.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 11' ' ' THR . 3.7 t-20 -88.92 -41.99 12.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.81 33.05 1.61 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.516 ' HE1' ' CE1' ' A' ' 20' ' ' TYR . 11.0 mmt -116.59 -36.19 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.023 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -52.16 111.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.44 34.37 14.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.516 ' CE1' ' HE1' ' A' ' 17' ' ' MET . 2.4 t80 -53.73 -172.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 0.813 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -36.23 -31.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -155.11 -62.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.933 HG11 HG13 ' A' ' 106' ' ' ILE . 6.2 m -51.87 107.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.205 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.1 m -90.87 170.07 10.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 110.045 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.023 ' CD2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -50.26 -29.73 10.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.32 -52.51 61.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.624 ' HA ' ' CZ3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -64.74 -34.78 79.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CZ3' HD11 ' A' ' 106' ' ' ILE . 91.6 m95 -68.46 -60.82 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.002 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 25' ' ' LEU . 94.1 t -55.16 -55.45 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.532 ' HB2' HD22 ' A' ' 121' ' ' LEU . 18.0 t -50.01 -55.7 13.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 108.324 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.966 HD11 ' CD2' ' A' ' 109' ' ' TRP . 2.8 tt -48.43 -46.86 38.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -65.62 -29.53 70.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -68.13 -52.15 37.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.242 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.998 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.1 t-80 -59.23 -25.81 64.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.5 -60.49 2.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' ASN . 25.2 t -175.69 -50.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 39' ' ' ASN . 6.9 t30 47.87 -173.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' TYR . 3.0 m-85 62.38 -59.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.4 m120 -122.95 142.95 50.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.658 HG21 ' CE1' ' A' ' 3' ' ' TYR . 1.2 p -101.95 16.15 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.3 tpm_? -60.59 -14.91 22.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.02 96.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.433 ' HA ' ' HB3' ' A' ' 54' ' ' TYR . 12.0 p -141.41 133.58 27.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -150.47 97.03 2.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.631 ' HA ' HG23 ' A' ' 52' ' ' THR . 11.0 p90 -89.45 158.18 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -161.82 104.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.3 OUTLIER -75.11 -30.8 60.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.25 -36.79 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.409 1.068 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -141.51 32.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ASP . 20.4 tp60 35.58 61.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.524 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 76.9 p -141.11 111.98 7.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.631 HG23 ' HA ' ' A' ' 45' ' ' TYR . 88.2 m -108.98 129.75 55.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -113.21 113.09 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.693 ' HE1' HD13 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -152.66 169.31 23.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.56 152.36 10.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.749 HG23 ' HD1' ' A' ' 57' ' ' PHE . 13.1 tt -54.29 -33.06 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.749 ' HD1' HG23 ' A' ' 56' ' ' ILE . 4.1 m-85 -95.99 10.18 38.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 47.03 84.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 52.5 mt -113.87 147.82 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.183 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' OD1' ' CG ' ' A' ' 53' ' ' ASP . 1.4 m120 -91.43 139.15 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 52' ' ' THR . 3.0 t -92.3 2.64 56.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.524 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -87.51 -15.3 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -122.13 -32.94 3.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.793 ' CD1' HG22 ' A' ' 99' ' ' VAL . 32.6 m-90 -120.05 167.19 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.773 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 59.46 156.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.46 ' HB2' ' CB ' ' A' ' 75' ' ' ASN . 1.8 t-20 -143.34 -164.21 1.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 16.8 t0 -144.59 -54.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.5 -0.2 26.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.439 1.087 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -115.85 -6.19 12.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -124.42 95.13 43.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 57.1 4.5 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.17 -65.66 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.34 134.86 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.368 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 74' ' ' VAL . 11.9 p -98.27 62.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.46 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 14.3 p-10 -48.56 94.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.68 -10.84 59.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.509 ' HB3' HD12 ' A' ' 79' ' ' ILE . 5.0 t -89.82 -40.04 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 108.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 69.3 58.87 6.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.773 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -149.87 170.46 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 0.794 . . . . 0.0 109.285 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.516 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 9.9 m-80 -75.88 123.01 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.534 ' HA ' HD12 ' A' ' 84' ' ' LEU . 57.1 m -52.14 -37.56 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 108.391 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -26.63 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -60.19 -17.42 41.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.693 HD13 ' HE1' ' A' ' 54' ' ' TYR . 1.1 mp -99.13 15.94 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 85' ' ' LEU . 12.0 tp -137.36 21.64 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -104.64 -167.15 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.81 -75.25 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.618 ' HB2' HG22 ' A' ' 90' ' ' THR . 0.2 OUTLIER -41.14 122.93 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.091 HG22 ' CZ ' ' A' ' 3' ' ' TYR . 5.7 pt -79.08 -2.72 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.618 HG22 ' HB2' ' A' ' 88' ' ' ASP . 9.6 t -44.61 -36.06 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.48 -38.73 65.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.543 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -63.32 -38.43 91.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.447 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 12.4 mt -73.35 -51.56 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 41.9 tt0 -52.51 -46.72 66.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.75 -48.18 55.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.3 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -48.23 -43.92 32.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 15.6 ptpt -75.31 -41.22 57.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.509 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -61.97 -23.99 66.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.793 HG22 ' CD1' ' A' ' 64' ' ' TRP . 41.1 t -90.13 -57.39 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.0 t -56.17 -26.05 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -19.73 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.497 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -74.27 177.55 2.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -74.92 1.82 7.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.57 -64.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.16 158.98 30.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.933 HG13 HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -47.5 -24.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 110' ' ' VAL . 2.8 ttp180 -42.22 -33.59 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.03 -32.7 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.966 ' CD2' HD11 ' A' ' 31' ' ' LEU . 13.9 m-90 -96.55 47.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 107' ' ' ARG . 24.9 t -40.11 -28.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.118 . . . . 0.0 109.384 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.998 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -41.49 -51.22 3.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.675 ' CE3' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.93 -42.96 85.93 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -68.15 -8.53 39.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.89 33.22 4.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.5 OUTLIER -153.25 -51.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.947 ' SG ' HD22 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -88.92 -47.18 8.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.26 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.27 61.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.677 ' N ' ' O ' ' A' ' 116' ' ' CYS . 2.6 t-20 -155.45 -44.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 -169.58 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.49 101.33 12.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.947 HD22 ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -98.17 18.36 16.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 m -72.93 -18.11 61.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -76.79 -10.25 59.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -30.04 59.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.636 ' CD1' HD12 ' A' ' 25' ' ' LEU . 8.9 pt -98.77 -43.07 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.419 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -61.15 104.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.8 OUTLIER 162.42 -27.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -25.08 61.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.89 31.37 2.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.566 0.803 . . . . 0.0 109.375 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.583 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 9.2 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 38.9 m-85 -160.22 116.25 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 5' ' ' ARG . 2.3 pm0 -96.52 170.24 9.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.481 ' HA ' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -34.8 -58.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 7' ' ' GLU . 71.8 m -51.87 -78.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 6' ' ' CYS . 4.1 mt-10 -32.39 -65.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.596 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -41.84 -54.96 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 111.069 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -53.5 -53.59 49.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -51.52 -57.47 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.5 m -54.42 -53.2 57.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.426 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -47.01 -52.07 15.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -66.52 -29.99 70.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -74.09 -25.05 59.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.4 -39.39 13.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.17 45.59 0.74 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.8 tpp -125.1 -39.18 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.745 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -50.27 109.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.65 34.69 27.47 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.061 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' TYR . 7.3 t80 -50.38 -176.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -34.53 -49.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.18 -61.8 0.14 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.763 HG11 ' CE2' ' A' ' 28' ' ' TRP . 46.4 t -41.11 127.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.597 0.822 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.21 154.06 20.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.745 HD13 ' CB ' ' A' ' 18' ' ' ALA . 26.5 tp -59.79 -45.75 91.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -56.35 -45.17 80.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 46.1 m-20 -68.33 -33.58 74.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.763 ' CE2' HG11 ' A' ' 23' ' ' VAL . 2.5 m95 -60.87 -55.04 37.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 107.959 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 9' ' ' ALA . 16.5 t -60.14 -53.37 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 109.372 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.499 ' HB2' HD22 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -53.12 -47.96 68.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' CD1' ' CD1' ' A' ' 106' ' ' ILE . 5.8 tt -53.94 -52.32 60.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.98 -26.2 68.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.456 ' NE2' ' CE2' ' A' ' 38' ' ' TYR . 42.9 tp60 -69.04 -53.59 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -62.09 -28.01 69.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -74.07 -56.27 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.07 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.94 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 8' ' ' PHE . 2.2 t30 53.89 -164.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.43 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.5 ' N ' ' O ' ' A' ' 3' ' ' TYR . 22.8 m-85 56.77 -113.76 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -88.43 137.63 32.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.9 p -84.83 54.63 3.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.37 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.678 ' O ' HG23 ' A' ' 43' ' ' THR . 0.4 OUTLIER -98.62 -44.59 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.219 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.505 ' CB ' ' HA3' ' A' ' 55' ' ' GLY . . . -39.54 102.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 41' ' ' ARG . 3.4 p -133.73 139.34 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ASP . 1.6 t-20 -128.76 88.64 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.425 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 1.0 OUTLIER -94.02 159.42 15.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -161.68 104.34 1.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -77.72 -32.91 53.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -44.06 -46.73 8.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -115.27 24.81 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.336 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' ASP . 1.5 tp-100 36.42 61.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.486 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 72.8 m -148.32 147.3 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.431 ' CG2' ' N ' ' A' ' 53' ' ' ASP . 1.7 m -136.56 166.75 22.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -142.63 126.11 16.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.846 ' CE2' HD13 ' A' ' 84' ' ' LEU . 64.0 m-85 -88.07 116.48 26.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.577 ' O ' ' N ' ' A' ' 57' ' ' PHE . . . -60.32 -49.49 78.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.568 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.8 tp -26.99 -41.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -148.09 29.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.622 ' N ' ' O ' ' A' ' 54' ' ' TYR . 30.8 tp60 37.25 53.06 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' TYR . 37.8 mt -101.37 134.37 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -77.26 128.98 35.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -90.84 4.3 52.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 110.048 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.23 -27.08 22.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -112.06 -31.84 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 29.1 m-90 -109.87 152.99 25.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.583 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.79 143.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.291 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.471 ' CG ' ' N ' ' A' ' 67' ' ' ASP . 11.8 t30 -80.28 -95.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 9.9 t0 173.45 -46.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.96 2.49 80.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -137.8 -46.73 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.753 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.534 HG22 ' HB2' ' A' ' 72' ' ' ARG . 2.7 m -106.47 103.49 46.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 55.29 3.96 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.534 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -120.98 -54.48 2.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.62 138.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.3 p -90.69 62.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 27.2 p-10 -38.96 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -90.08 -15.09 32.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.148 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.639 ' HB3' HD12 ' A' ' 79' ' ' ILE . 8.5 t -89.98 -26.0 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.445 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 68.56 55.86 11.07 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.474 1.109 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -150.86 163.09 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 0.772 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.605 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 7.0 m-80 -76.59 126.64 31.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.419 ' HA ' HD12 ' A' ' 84' ' ' LEU . 18.9 m -50.85 -44.2 59.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 108.266 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 0.6 OUTLIER -54.04 -26.53 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.064 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -62.38 -15.42 48.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.846 HD13 ' CE2' ' A' ' 54' ' ' TYR . 1.3 mt -105.34 14.84 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tp -137.32 28.56 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 82' ' ' SER . 4.1 mt-30 -109.84 -155.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.0 -73.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -51.65 142.13 15.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ALA . 6.0 pt -98.38 5.21 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 t -42.92 -36.13 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.11 -42.6 65.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -60.23 -40.55 90.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.5 mt -70.49 -50.08 48.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 10.4 tt0 -55.73 -46.05 77.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.797 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -69.02 -40.47 78.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 108.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -54.23 -47.46 72.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 16.4 pttt -70.39 -44.06 68.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.444 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 4.0 tpt180 -63.55 -23.11 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.347 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 95' ' ' CYS . 52.6 t -84.13 -58.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -29.59 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -54.41 -24.16 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -72.05 178.32 1.38 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.0 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.584 1.834 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.41 ' O ' ' NH1' ' A' ' 107' ' ' ARG . 9.0 mm-40 -68.78 -61.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.453 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 79.73 162.63 25.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.63 HG13 HG22 ' A' ' 23' ' ' VAL . 1.3 mm -40.92 -28.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.453 ' N ' ' C ' ' A' ' 105' ' ' GLY . 6.8 ttp-105 -40.48 -38.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.66 -38.51 2.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 110' ' ' VAL . 30.7 m-90 -93.31 50.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.014 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 109' ' ' TRP . 11.7 p -34.53 -36.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -42.27 -57.1 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.644 ' C ' ' CD1' ' A' ' 112' ' ' TRP . 0.7 OUTLIER -52.62 -56.97 11.61 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -46.08 -20.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 112' ' ' TRP . . . -130.77 37.08 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 11.5 t60 -151.65 -51.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.613 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.639 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.02 -50.08 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 108.285 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -68.58 58.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 116' ' ' CYS . 9.4 t-20 -145.25 -52.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -129.35 -171.7 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.203 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.97 100.52 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 30' ' ' CYS . 1.4 tp -103.75 22.25 14.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.01 -24.54 60.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.059 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.79 -11.86 59.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -75.68 -31.4 59.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.485 HG22 HG21 ' A' ' 29' ' ' VAL . 1.9 pt -100.73 -30.63 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -77.7 125.57 29.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.369 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 5.1 t-20 75.87 24.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -83.05 -34.31 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 108.235 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.71 35.43 1.27 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.641 HG13 ' C ' ' A' ' 38' ' ' TYR . 41.3 t -124.94 145.61 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' TYR . 14.6 m-85 -140.84 131.66 25.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' ARG . 9.2 pt-20 -118.03 165.98 13.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -36.03 -66.32 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -48.09 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.319 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -33.73 -67.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.984 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -41.6 -50.91 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -56.03 -55.23 35.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -51.0 -57.93 7.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.3 m -51.27 -55.66 17.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.777 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -46.72 -54.16 10.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -64.93 -26.24 68.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.0 tpt85 -78.89 -23.37 44.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.4 t-20 -89.42 -40.43 12.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.83 41.34 1.45 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.75 -38.49 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.859 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -52.04 109.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 102.15 21.71 10.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' TYR . 4.4 t80 -43.31 168.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -34.95 -48.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.61 -56.71 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.769 HG11 ' CE2' ' A' ' 28' ' ' TRP . 5.5 t -53.34 116.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -90.41 145.06 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.043 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.859 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 12.1 tp -43.19 -47.93 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.69 85.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 48.2 m-20 -64.21 -37.45 87.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.769 ' CE2' HG11 ' A' ' 23' ' ' VAL . 24.6 m95 -63.69 -57.15 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 107.983 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.668 HG21 HG22 ' A' ' 125' ' ' ILE . 39.6 t -52.03 -62.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -46.98 -47.13 21.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 106' ' ' ILE . 5.4 tt -59.83 -67.52 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.098 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.984 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -43.73 -29.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -72.18 -52.91 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.756 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 5.1 t-80 -61.12 -22.23 64.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.536 ' OE1' ' CD1' ' A' ' 109' ' ' TRP . 15.0 mm-40 -74.68 -65.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 158.29 62.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.553 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 8.1 t-20 -58.7 -150.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.641 ' C ' HG13 ' A' ' 2' ' ' VAL . 25.0 m-85 72.66 -125.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.063 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' ARG . 2.7 p30 -84.74 142.32 29.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 p -70.03 58.55 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 39' ' ' ASN . 4.0 tpt180 -113.79 4.65 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.16 91.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 1.039 HG22 ' CD2' ' A' ' 54' ' ' TYR . 1.9 p -142.38 122.28 13.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.39 99.56 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.715 ' HA ' HG23 ' A' ' 52' ' ' THR . 1.1 p90 -89.36 159.5 17.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 51' ' ' SER . 29.1 m120 -162.77 104.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' GLY . 5.2 ttt85 -75.58 -32.9 60.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -37.59 -41.33 0.82 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -122.93 30.93 6.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ASP . 1.9 tt0 35.14 47.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 79.8 p -138.51 149.54 45.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.76 HG22 ' CD1' ' A' ' 54' ' ' TYR . 7.6 m -141.57 131.83 24.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -101.02 98.91 9.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 1.039 ' CD2' HG22 ' A' ' 43' ' ' THR . 4.5 m-85 -127.02 157.65 39.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' GLN . . . 101.8 143.61 13.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.442 HD11 ' OD1' ' A' ' 37' ' ' ASN . 13.8 tt -50.61 -32.82 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.442 ' CZ ' ' CZ ' ' A' ' 8' ' ' PHE . 14.6 m-85 -89.94 22.46 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 37.51 69.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.8 mt -96.14 134.53 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.242 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -80.31 132.72 35.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -89.84 10.85 22.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -88.08 -2.29 58.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -151.98 -44.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.525 ' NE1' HG13 ' A' ' 99' ' ' VAL . 5.2 m-90 -96.29 156.33 16.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.759 ' HA ' HD13 ' A' ' 79' ' ' ILE . 1.4 p 52.42 176.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.54 -169.3 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -150.37 -51.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.14 -0.77 22.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -14.73 26.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -125.8 94.99 40.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 58.98 5.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.96 -45.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.83 159.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 74' ' ' VAL . 6.3 p -122.08 54.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' VAL . 17.9 p-10 -39.32 100.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -79.99 -18.05 51.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.668 ' HB3' HD12 ' A' ' 79' ' ' ILE . 1.8 t -89.49 -32.79 17.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.438 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.51 53.66 30.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.759 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -150.92 163.23 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -75.23 124.03 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.605 ' HA ' HD12 ' A' ' 84' ' ' LEU . 52.3 m -50.21 -32.66 17.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.6 t -58.17 -32.38 68.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.17 -18.25 24.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.1 mt -99.98 11.2 39.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.918 HD11 ' CG2' ' A' ' 43' ' ' THR . 0.0 OUTLIER -124.59 20.68 8.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -90.74 -162.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.36 -51.13 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -76.98 132.49 39.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 92' ' ' ALA . 9.1 pt -85.1 2.73 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.66 -37.44 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.18 63.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.638 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.29 -40.09 95.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.28 -50.88 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.46 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -56.46 -47.3 79.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.539 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.8 t -68.61 -45.22 72.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.09 -48.81 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -70.59 -42.49 70.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.504 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 7.7 tpt180 -61.64 -22.35 65.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 95' ' ' CYS . 51.7 t -88.25 -57.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.7 t -56.89 -26.97 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -53.4 -19.22 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.473 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -79.29 176.69 3.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.4 Cg_endo -74.96 1.53 7.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.534 1.807 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -69.79 -63.86 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.25 163.33 28.15 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.836 HD12 HD13 ' A' ' 31' ' ' LEU . 3.9 mm -39.68 -31.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 0.735 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 105' ' ' GLY . 9.7 tpt180 -38.46 -38.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.0 -36.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.593 ' CE3' HD11 ' A' ' 31' ' ' LEU . 24.4 m-90 -94.16 60.26 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 107.964 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 113' ' ' ARG . 15.0 p -42.64 -27.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.756 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -48.09 -49.72 30.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.493 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.12 -30.36 64.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 107.968 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.491 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -69.43 -15.26 63.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.79 31.13 5.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.143 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.73 -44.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -88.72 -55.68 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 55.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -141.57 -57.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.64 -170.19 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -85.7 101.55 12.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.806 ' O ' HD13 ' A' ' 121' ' ' LEU . 1.2 tm? -90.1 9.71 27.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 m -75.74 -25.41 56.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.963 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.4 -15.85 63.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -38.06 33.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.668 HG22 HG21 ' A' ' 29' ' ' VAL . 3.3 pt -90.34 -32.72 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 2.0 ttm180 -70.02 99.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.4 m-20 161.27 -26.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -24.57 60.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 105.59 31.39 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.845 ' O ' HG22 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 38' ' ' TYR . 60.4 t -106.19 145.72 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 38' ' ' TYR . 2.4 m-85 -156.07 117.53 3.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -106.97 171.63 7.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -43.77 -55.05 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 7' ' ' GLU . 1.1 m -55.38 -76.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 108.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 6' ' ' CYS . 6.6 mm-40 -36.09 -65.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 32' ' ' ALA . 45.7 t80 -45.66 -48.85 14.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.27 59.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -53.35 -56.03 20.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' ASN . 7.3 m -52.4 -55.03 24.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -49.02 -50.48 35.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -65.11 -28.96 69.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -78.57 -24.32 45.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -89.52 -40.05 12.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.82 46.52 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.35 -39.37 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.565 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -52.14 110.54 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.05 28.02 35.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' TYR . 53.8 t80 -48.6 177.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' TYR . 1.4 m-85 -35.37 -54.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.37 -61.42 0.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.611 1.195 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.6 t -47.73 119.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -88.76 146.1 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.565 HD13 ' CB ' ' A' ' 18' ' ' ALA . 9.9 tp -42.8 -49.39 5.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HA ' HG21 ' A' ' 125' ' ' ILE . . . -58.54 -41.52 85.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' SER . 19.0 m-20 -63.51 -36.49 83.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.707 ' CE2' HG11 ' A' ' 23' ' ' VAL . 24.5 m95 -65.69 -57.46 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.011 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.746 HG21 HG22 ' A' ' 125' ' ' ILE . 41.3 t -55.55 -58.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.874 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -48.53 -47.13 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 108.347 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.739 HD13 ' C ' ' A' ' 31' ' ' LEU . 1.6 tm? -58.2 -56.35 23.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . . . -58.74 -23.0 59.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tt0 -75.29 -53.95 7.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.812 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 13.1 t-80 -57.96 -27.0 63.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.655 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.1 mm-40 -74.34 -61.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 159.39 60.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.753 ' HA ' HD11 ' A' ' 56' ' ' ILE . 38.0 p-10 -57.64 -158.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.799 ' O ' HG13 ' A' ' 2' ' ' VAL . 23.6 m-85 67.19 -58.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' ASN . 16.0 t-20 -121.58 155.54 34.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 1' ' ' LYS . 1.7 t -133.91 40.56 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -105.77 4.11 29.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 54' ' ' TYR . . . -43.34 114.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -145.39 128.58 16.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.2 m-20 -147.41 97.14 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.424 ' OH ' ' CD1' ' A' ' 85' ' ' LEU . 23.0 m-85 -89.53 151.39 21.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' SER . 20.5 m120 -162.13 104.63 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.22 -32.55 29.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.45 -43.89 1.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' GLN . 25.0 t0 -121.18 31.06 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' ASP . 9.1 tp-100 34.09 56.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' ASN . 28.3 p -143.48 151.38 40.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.472 HG22 ' CD2' ' A' ' 54' ' ' TYR . 1.5 m -145.97 156.24 43.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 0.0 110.456 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ASN . 71.6 m-20 -140.07 117.69 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.606 ' HE1' HD13 ' A' ' 84' ' ' LEU . 2.0 p90 -150.91 168.3 24.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.25 146.7 18.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.788 HG23 ' HD1' ' A' ' 57' ' ' PHE . 18.7 tt -52.49 -30.61 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.788 ' HD1' HG23 ' A' ' 56' ' ' ILE . 5.3 m-85 -92.03 17.88 8.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER 37.83 74.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -100.38 140.4 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.458 ' ND2' ' CE3' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -90.01 137.0 32.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.417 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 1.1 t -92.28 11.46 25.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -33.18 19.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.544 ' HA ' HG13 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -115.26 -22.11 9.58 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.458 ' CE3' ' ND2' ' A' ' 60' ' ' ASN . 3.1 m-90 -114.05 167.88 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 107.975 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.753 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 59.33 159.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 108.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -127.79 -178.42 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -157.04 -47.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.67 -0.77 89.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -97.63 -13.53 21.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 70' ' ' THR . 3.2 t -131.0 107.53 15.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 61.82 5.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.33 -53.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.312 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.03 156.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 74' ' ' VAL . 2.4 p -129.61 60.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' ASN . 23.6 p-10 -39.93 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -90.4 -14.03 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.574 ' HB3' HD12 ' A' ' 79' ' ' ILE . 7.8 t -89.56 -32.38 17.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.45 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 71.93 55.05 7.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.753 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -150.99 155.86 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.412 0.713 . . . . 0.0 109.267 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -72.3 127.18 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.533 ' HA ' HD12 ' A' ' 84' ' ' LEU . 70.3 m -48.16 -37.87 16.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.3 p -56.48 -34.24 66.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -58.43 -24.28 59.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 79' ' ' ILE . 1.1 mt -96.06 9.4 40.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.424 ' CD1' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -121.72 23.27 10.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.55 -165.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.36 -73.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.21 145.28 14.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.482 HG12 ' CZ ' ' A' ' 3' ' ' TYR . 5.8 pt -84.07 5.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -43.37 -36.47 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.77 62.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.52 -38.01 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 10.1 mt -74.38 -52.04 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 22.1 tt0 -55.54 -44.64 76.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' VAL . 4.0 t -70.37 -47.43 60.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -48.35 -45.44 35.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 20.1 pttt -73.28 -42.98 61.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.54 -22.57 66.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.245 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' CYS . 44.9 t -88.22 -57.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.36 -24.9 25.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -57.89 -16.7 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.501 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -81.46 177.75 2.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.1 Cg_endo -75.04 1.78 7.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -69.78 -62.27 1.45 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.65 160.0 22.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.57 1.169 . . . . 0.0 110.97 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.586 HD13 ' CE3' ' A' ' 109' ' ' TRP . 2.8 mm -43.74 -27.12 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.434 ' N ' ' C ' ' A' ' 105' ' ' GLY . 17.1 ttm180 -38.31 -39.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.22 -37.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.387 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.586 ' CE3' HD13 ' A' ' 106' ' ' ILE . 24.2 m-90 -94.34 62.34 2.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 107.959 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' ARG . 13.9 p -43.25 -27.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.812 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -47.63 -47.78 28.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -61.42 -33.32 73.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.493 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 3.1 tmm_? -64.45 -15.71 61.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -126.62 32.02 5.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.99 -45.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.615 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -88.95 -55.18 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.069 . . . . 0.0 108.292 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.402 ' OE1' ' CA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -72.65 56.14 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -147.75 -65.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -119.38 -171.27 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -91.49 97.93 11.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.874 HD12 ' HB3' ' A' ' 30' ' ' CYS . 1.4 tm? -92.22 13.02 20.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 -26.28 59.81 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -62.76 -15.35 53.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.63 -37.86 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.746 HG22 HG21 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -90.95 -33.14 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 0.0 109.238 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.421 ' N ' HG13 ' A' ' 125' ' ' ILE . 13.0 tpt180 -77.7 104.37 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 162.55 -27.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -23.95 59.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 108.365 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 106.55 32.96 3.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -125.17 142.26 42.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -138.93 115.96 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -100.97 168.4 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.265 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.718 ' HA ' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -41.58 -54.85 3.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -53.21 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -36.75 -65.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.785 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -45.19 -47.99 12.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.64 55.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.591 1.182 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -50.67 -56.55 11.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 15' ' ' ASN . 8.4 m -52.65 -56.61 14.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.434 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -46.0 -53.8 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -64.87 -27.49 68.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -76.33 -26.47 55.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.2 t30 -89.86 -42.24 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.94 55.65 0.47 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mmm -131.06 -40.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 0.724 . . . . 0.0 111.039 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -47.55 113.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.95 29.03 24.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.436 1.085 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' TYR . 9.3 t80 -48.43 178.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.398 0.705 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -35.63 -48.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.2 -61.36 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.733 HG11 ' CE2' ' A' ' 28' ' ' TRP . 12.2 t -43.99 120.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.534 0.785 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.54 150.7 21.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.712 ' HG ' HG21 ' A' ' 125' ' ' ILE . 10.0 tp -49.19 -43.74 42.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.84 87.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.592 ' OD1' ' CH2' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -67.8 -33.75 75.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.181 . . . . 0.0 109.327 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.733 ' CE2' HG11 ' A' ' 23' ' ' VAL . 16.9 m95 -67.99 -59.47 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.805 HG21 HG22 ' A' ' 125' ' ' ILE . 43.2 t -55.21 -57.26 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.629 ' HB2' HD22 ' A' ' 121' ' ' LEU . 8.8 t -51.74 -45.74 63.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.423 1.077 . . . . 0.0 108.226 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.652 ' CD1' ' CG ' ' A' ' 109' ' ' TRP . 14.8 tp -52.05 -62.05 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.785 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -55.93 -29.18 59.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -53.54 19.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.616 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 3.5 t-80 -64.59 -28.59 69.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.574 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' SER . 10.8 mm-40 -71.39 -59.45 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.639 1.212 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER 160.29 51.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.607 ' O ' ' N ' ' A' ' 39' ' ' ASN . 25.6 p-10 -61.07 -151.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.168 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.511 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.9 OUTLIER 61.24 -63.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 111.011 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.607 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.6 m120 -104.02 140.86 37.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.547 HG22 HD12 ' A' ' 56' ' ' ILE . 36.7 p -103.62 34.35 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -117.63 11.96 13.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.247 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB3' ' C ' ' A' ' 55' ' ' GLY . . . -44.91 104.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.053 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.902 HG22 ' CD2' ' A' ' 54' ' ' TYR . 6.7 p -148.96 122.77 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.3 m-20 -150.18 98.35 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.503 ' HA ' HG23 ' A' ' 52' ' ' THR . 15.7 p90 -88.75 159.76 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -163.56 106.07 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -74.99 -31.08 61.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.601 1.188 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -36.53 -37.88 0.24 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' GLN . 4.4 t0 -129.25 33.28 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.52 ' CG ' HG21 ' A' ' 70' ' ' THR . 0.0 OUTLIER 34.76 51.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.563 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 79.2 p -140.71 153.44 45.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.659 HG22 ' CD1' ' A' ' 54' ' ' TYR . 3.0 m -145.21 133.5 21.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 0.0 110.48 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' ASN . 23.5 m-20 -102.67 102.34 12.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.902 ' CD2' HG22 ' A' ' 43' ' ' THR . 4.0 m-85 -127.5 158.83 36.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.472 ' C ' ' HB3' ' A' ' 42' ' ' ALA . . . 98.88 146.8 21.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.547 HD12 HG22 ' A' ' 40' ' ' THR . 9.2 tt -52.39 -32.15 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.764 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 18.4 m-85 -90.12 22.45 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 36.96 66.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.2 mt -89.38 133.69 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.43 124.94 28.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 9.4 t -82.48 7.12 15.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.563 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.4 OUTLIER -88.18 11.96 15.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.085 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.485 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.03 -37.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 111.038 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.552 ' CZ3' ' HB3' ' A' ' 76' ' ' ALA . 69.7 m95 -116.22 167.22 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.833 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER 59.1 154.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 108.307 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.898 HD21 ' N ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -106.43 -172.75 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.898 ' N ' HD21 ' A' ' 66' ' ' ASN . 11.1 t0 -162.32 -45.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.19 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.6 2.12 59.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.103 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 0.1 31.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.52 HG21 ' CG ' ' A' ' 50' ' ' GLN . 1.3 m -143.96 106.06 4.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 55.73 4.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' ALA . 2.0 ttt-85 -150.81 -44.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -49.87 179.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -149.63 95.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 30.2 p-10 -67.95 62.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.418 1.073 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -60.13 -16.08 29.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.574 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.8 t -89.24 -32.71 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.453 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.44 51.32 37.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.608 1.193 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.833 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -151.29 118.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 0.793 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 82' ' ' SER . 9.1 m-20 -50.7 124.33 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.65 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -48.14 -27.33 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 80' ' ' ASN . 0.1 OUTLIER -57.85 -31.34 66.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.981 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.24 67.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -100.83 13.54 34.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.222 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.58 6.93 14.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 87' ' ' ASP . 23.8 pt20 -106.14 -157.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -90.73 -58.55 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.51 110.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ALA . 16.4 pt -82.67 3.2 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 t -45.13 -35.51 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.404 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.37 -38.23 65.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -64.51 -41.16 96.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.2 mt -71.34 -48.45 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.203 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -57.09 -49.56 75.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.551 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -68.6 -41.95 78.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -50.54 -50.46 53.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 17.2 pttt -71.22 -40.37 71.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.527 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.8 ttt85 -64.27 -20.87 66.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 95' ' ' CYS . 39.7 t -89.8 -57.61 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -30.78 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -25.58 6.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 110.254 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.496 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -73.99 177.76 1.95 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.96 1.13 8.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -67.96 -62.07 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 78.34 162.57 20.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.591 HD13 ' CE3' ' A' ' 109' ' ' TRP . 2.9 mm -44.21 -27.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.582 0.813 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -42.92 -36.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.196 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.81 -33.11 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.284 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.652 ' CG ' ' CD1' ' A' ' 31' ' ' LEU . 12.9 m-90 -97.65 43.9 1.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 113' ' ' ARG . 11.3 p -40.87 -27.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 109.256 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.616 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -45.21 -51.33 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.392 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.649 ' CE3' ' CB ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.13 -34.47 72.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 108.018 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 110' ' ' VAL . 6.9 ttt-85 -75.88 -11.46 59.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.7 30.32 5.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 1.6 t60 -151.87 -48.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.84 ' SG ' HD22 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -89.72 -57.67 2.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 108.268 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 116' ' ' CYS . 1.7 tm0? -37.67 -30.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 116' ' ' CYS . 2.0 t-20 -47.88 -55.8 9.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.06 -168.86 1.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -91.5 102.34 15.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.84 HD22 ' SG ' ' A' ' 116' ' ' CYS . 0.5 OUTLIER -96.61 18.73 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -20.76 62.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.49 -9.82 58.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 5' ' ' ARG . 1.1 t80 -74.59 -24.36 58.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.805 HG22 HG21 ' A' ' 29' ' ' VAL . 2.3 pt -106.51 -29.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -75.42 -0.15 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 124' ' ' TYR . 29.0 p30 -84.98 -22.15 29.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 127' ' ' ASN . 0.4 OUTLIER -74.57 -25.65 59.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 108.331 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 102.6 30.09 5.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.358 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.43 ' N ' ' CG2' ' A' ' 40' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.517 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 72.1 t -129.32 130.9 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.182 . . . . 0.0 109.378 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.577 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 8.4 m-85 -156.81 121.08 4.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ARG . 12.6 pt-20 -102.41 165.83 10.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -38.62 -68.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -44.38 -72.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.318 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -35.14 -66.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.608 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -46.63 -49.98 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 6' ' ' CYS . . . -51.82 -52.84 46.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.4 1.063 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -58.18 -51.19 70.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ASN . 13.2 m -57.05 -54.67 44.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.08 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.679 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -50.77 -50.19 56.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.73 -28.83 69.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -79.49 -22.15 44.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.19 -38.9 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.85 44.28 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.465 ' HE2' HG23 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -125.5 -38.61 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.949 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.876 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -49.93 112.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.54 33.17 28.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' TYR . 25.7 t80 -49.43 179.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -36.18 -52.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.943 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.42 -59.36 0.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.821 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.1 t -48.64 122.39 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 109.21 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -90.42 141.28 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.876 HD22 ' HB1' ' A' ' 18' ' ' ALA . 3.9 tp -43.02 -48.61 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.58 79.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 21.9 m-20 -66.16 -36.69 83.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.821 ' CE2' HG11 ' A' ' 23' ' ' VAL . 16.1 m95 -63.54 -55.37 24.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 107.964 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' GLN . 13.3 t -58.7 -63.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.399 1.062 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.683 ' CB ' HD23 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -45.19 -43.19 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 108.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.637 HD22 HD12 ' A' ' 106' ' ' ILE . 27.0 tp -58.28 -55.5 34.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.23 -19.81 65.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tm0? -74.19 -56.29 5.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.482 ' ND1' ' HB1' ' A' ' 111' ' ' ALA . 5.8 t-160 -60.76 -24.74 65.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.607 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' SER . 19.1 mm-40 -75.57 -63.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER 158.51 64.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.608 ' OD1' ' CD2' ' A' ' 8' ' ' PHE . 9.1 t30 -64.2 -155.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 5.7 m-85 62.4 -61.68 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ASN . 12.7 m-20 -129.06 150.42 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.465 HG22 HD11 ' A' ' 56' ' ' ILE . 4.0 p -103.36 49.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 43' ' ' THR . 4.4 ttt-85 -88.73 -18.72 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.15 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 54' ' ' TYR . 7.3 p -143.38 135.6 26.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.344 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -150.63 94.27 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -89.96 157.85 17.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' SER . 75.7 m-20 -160.87 103.67 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.7 tpp180 -76.69 -30.97 56.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.98 -36.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -137.1 35.51 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.3 tp60 36.44 50.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.483 ' HB3' ' CD ' ' A' ' 62' ' ' ARG . 90.7 p -132.98 147.52 52.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.572 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.9 m -140.97 164.68 29.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.433 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASN . 5.4 t0 -149.79 108.62 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.662 ' HE1' HD12 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -150.02 169.6 20.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.27 164.17 16.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.465 HD11 HG22 ' A' ' 40' ' ' THR . 3.2 mm -41.43 -60.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.536 0.786 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -89.14 23.23 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 40.65 77.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 9.8 mt -89.22 147.22 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.9 OUTLIER -80.42 135.12 36.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.656 ' OG ' ' CE2' ' A' ' 54' ' ' TYR . 0.7 OUTLIER -92.51 1.75 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.483 ' CD ' ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.04 -39.94 14.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.343 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.412 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -102.6 -46.55 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.412 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 28.6 m-90 -97.71 158.05 15.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.071 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.702 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.7 147.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.464 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . 11.9 t30 -89.99 -94.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 5.1 t70 176.24 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.12 -1.93 86.69 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.612 1.195 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.5 -46.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 72' ' ' ARG . 3.1 m -107.19 103.32 47.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 60.05 5.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.617 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -121.15 -58.02 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -39.93 138.83 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.4 p -90.1 56.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.464 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 26.5 p-10 -38.96 96.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -85.0 -16.84 39.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.64 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.0 t -90.13 -32.52 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.424 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 74.01 61.03 3.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.584 1.178 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -150.03 158.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.361 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.691 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 1.8 m-20 -70.77 123.79 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 7.8 m -49.35 -48.31 46.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.245 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 t -54.42 -25.11 22.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -63.97 -12.24 35.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.662 HD12 ' HE1' ' A' ' 54' ' ' TYR . 15.0 mt -98.12 10.57 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.0 25.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -97.41 -164.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -88.2 -71.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.98 129.0 39.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ALA . 4.8 pt -82.95 3.67 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.9 t -42.98 -37.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.2 64.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -62.37 -35.87 80.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.465 HG23 ' HE2' ' A' ' 17' ' ' MET . 12.2 mt -74.02 -53.74 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.366 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 5.2 tp60 -54.05 -43.32 70.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 99' ' ' VAL . 7.3 t -69.26 -53.66 18.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -43.73 -47.41 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -70.84 -43.04 69.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.506 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.32 -17.97 63.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 110.365 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 42.4 t -91.4 -55.93 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -31.6 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -53.28 -25.01 13.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.489 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -74.28 177.98 1.89 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.1 Cg_endo -75.0 2.28 6.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -68.94 -62.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.82 163.66 14.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.135 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.637 HD12 HD22 ' A' ' 31' ' ' LEU . 9.5 mm -47.67 -30.06 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -31.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.06 -32.11 14.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.593 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 9.5 m-90 -102.81 66.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 113' ' ' ARG . 11.9 p -45.94 -25.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.482 ' HB1' ' ND1' ' A' ' 34' ' ' HIS . . . -47.74 -46.27 29.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.525 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -60.45 -33.58 72.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 107.997 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.48 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 47.9 ttt-85 -64.87 -14.75 60.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.18 32.96 4.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.89 -45.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.525 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.53 -54.03 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.241 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.57 -13.61 15.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.403 1.064 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -62.15 -66.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.77 -169.94 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -88.0 103.59 15.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.683 HD23 ' CB ' ' A' ' 30' ' ' CYS . 14.7 tp -101.43 21.75 13.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.1 t -73.92 -21.77 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.938 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.74 -9.4 58.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -33.19 62.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.606 HG21 ' HG ' ' A' ' 25' ' ' LEU . 3.7 pt -94.03 -36.05 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 15.6 tpt180 -75.94 103.65 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 161.69 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -24.79 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.341 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.13 31.33 3.11 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.538 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 38' ' ' TYR . 42.9 t -146.8 116.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.612 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -158.22 143.62 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.92 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' ARG . 9.8 pt-20 -101.31 177.84 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -38.14 -50.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -56.15 -77.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.407 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.3 mt-10 -35.98 -65.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.643 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 9.5 t80 -42.91 -51.09 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 111.034 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.42 -54.26 48.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.96 -56.24 9.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.422 1.076 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.1 m -54.91 -54.95 36.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.473 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.496 HD23 ' CA ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -45.72 -51.27 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HD2' ' HB3' ' A' ' 18' ' ' ALA . 1.5 tptt -68.57 -28.31 66.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' THR . 18.1 ttp180 -74.21 -26.38 60.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.3 t-20 -90.43 -40.9 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.09 50.0 0.75 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.146 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 -40.13 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.738 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -47.3 112.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 89.78 28.23 19.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 21' ' ' TYR . 30.2 t80 -47.53 178.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.68 -56.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.89 -63.83 0.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.834 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.6 t -43.64 120.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.497 0.763 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -89.63 146.83 24.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.971 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.738 HD13 ' CB ' ' A' ' 18' ' ' ALA . 20.8 tp -43.97 -46.21 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.34 94.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 49.0 m-20 -64.48 -37.15 86.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.834 ' CE2' HG11 ' A' ' 23' ' ' VAL . 11.9 m95 -65.76 -56.99 9.08 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.868 HG21 HG22 ' A' ' 125' ' ' ILE . 56.1 t -55.38 -59.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.871 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -50.53 -43.16 55.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.254 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.707 HD22 HD12 ' A' ' 106' ' ' ILE . 35.9 tp -62.27 -58.72 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . . . -56.94 -25.07 56.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' VAL . 43.5 tp60 -72.69 -55.44 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.417 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 2.6 t60 -60.84 -24.17 65.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.603 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.512 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 7.3 mm-40 -74.63 -59.38 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 7.6 t -176.76 -62.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' A' ' 39' ' ' ASN . 2.1 t-20 55.94 -169.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 3' ' ' TYR . 2.5 m-85 60.3 -74.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -122.41 138.56 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.598 HG21 ' OH ' ' A' ' 3' ' ' TYR . 42.7 p -81.65 59.61 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 43' ' ' THR . 2.0 ttp85 -102.45 -15.22 16.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.587 ' HB2' ' HB2' ' A' ' 36' ' ' SER . . . -51.86 92.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.628 HG22 ' HB2' ' A' ' 54' ' ' TYR . 7.5 p -138.26 134.38 34.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -149.97 92.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.793 ' HA ' HG23 ' A' ' 52' ' ' THR . 28.0 p90 -88.75 155.17 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -161.66 103.76 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' GLY . 8.5 ttp-105 -75.37 -30.36 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -32.98 -41.92 0.13 Allowed Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.468 1.105 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -133.15 34.52 3.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 0.722 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.517 ' HG3' HG21 ' A' ' 70' ' ' THR . 12.8 tm0? 36.14 61.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 22.6 p -144.86 129.14 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.793 HG23 ' HA ' ' A' ' 45' ' ' TYR . 87.8 m -125.21 126.7 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.565 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -108.74 103.6 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.679 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 p90 -152.67 162.91 40.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.64 156.02 9.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -47.42 -35.17 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.518 ' CZ ' ' CE3' ' A' ' 28' ' ' TRP . 10.8 m-85 -106.56 22.38 15.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 38.52 85.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 66.7 mt -104.6 145.04 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.565 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -91.2 139.25 30.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' THR . 14.2 t -91.35 9.63 30.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.497 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.5 OUTLIER -89.58 -26.86 20.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -116.91 -53.17 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.701 ' CZ3' ' HB3' ' A' ' 76' ' ' ALA . 69.0 m95 -99.56 160.5 14.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 107.965 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.768 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.36 153.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.163 . . . . 0.0 108.294 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.84 169.8 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -128.18 -46.15 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.07 -0.3 69.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -90.92 -16.35 28.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.517 HG21 ' HG3' ' A' ' 50' ' ' GLN . 1.2 m -139.89 106.74 6.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 57.38 4.57 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.409 1.742 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.4 -51.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.477 ' HB2' ' OE1' ' A' ' 50' ' ' GLN . . . -44.59 159.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 74' ' ' VAL . 11.0 p -123.39 66.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 5.0 p-10 -51.83 93.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.701 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -79.01 -8.68 59.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.509 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.2 t -90.68 -38.39 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.53 54.41 26.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.768 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -144.28 158.21 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.79 . . . . 0.0 109.275 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.6 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 3.7 t30 -62.65 120.86 12.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.418 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 1.2 m -49.85 -46.42 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.307 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.52 -24.57 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -62.64 -13.47 32.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.121 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.679 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 43.4 mt -104.01 16.67 25.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.86 15.09 2.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -102.23 -168.96 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.83 -70.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -43.68 126.83 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.441 ' CG2' ' OH ' ' A' ' 3' ' ' TYR . 24.0 pt -91.16 2.55 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -43.49 -44.48 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . -72.3 -37.72 68.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.667 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -59.28 -43.91 92.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 22.7 mt -72.22 -49.7 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.26 -49.62 73.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -67.87 -42.75 80.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 108.284 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.73 -49.8 46.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 8.0 ptmt -71.22 -40.81 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -64.32 -21.46 66.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 95' ' ' CYS . 49.7 t -88.7 -58.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 96' ' ' ALA . 91.6 t -57.37 -28.71 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -19.01 3.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -79.88 176.85 3.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -74.96 3.02 5.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -70.51 -62.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.232 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 78.11 161.43 17.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.707 HD12 HD22 ' A' ' 31' ' ' LEU . 7.9 mm -40.34 -29.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.451 0.736 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.454 ' N ' ' C ' ' A' ' 105' ' ' GLY . 23.7 ttm-85 -41.53 -36.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.49 -35.02 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.512 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 22.4 m-90 -100.98 63.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' ARG . 7.7 p -39.53 -31.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 109' ' ' TRP . . . -44.7 -51.26 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.553 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.12 -37.59 77.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.471 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -64.93 -14.83 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.12 29.88 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.65 -47.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.25 -53.25 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 108.236 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.16 56.56 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -146.74 -65.92 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -123.51 -171.99 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.87 100.19 12.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' A' ' 30' ' ' CYS . 1.5 tt -96.1 15.23 21.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.4 m -74.14 -21.97 59.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -69.38 -11.43 60.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -37.96 37.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.868 HG22 HG21 ' A' ' 29' ' ' VAL . 1.3 pt -88.93 -31.58 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.377 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 127' ' ' ASN . 10.2 tpt180 -76.54 95.52 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 42.7 t30 171.62 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -24.08 60.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 111.55 34.16 2.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.325 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' ASN . 14.6 tttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.588 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 97.4 t -145.03 111.75 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 63.7 m-85 -162.81 140.37 8.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 5' ' ' ARG . 6.6 pt-20 -107.28 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -36.48 -63.65 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.2 m -49.58 -80.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -34.34 -64.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 4' ' ' GLU . 12.0 t80 -43.64 -47.96 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -59.06 -55.87 29.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -48.38 -58.83 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASN . 9.7 m -52.14 -53.3 44.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.69 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 1.1 mp -46.93 -53.39 12.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 1.9 tptm -64.58 -29.98 71.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -25.07 58.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.7 t30 -89.57 -41.27 12.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.59 36.47 1.42 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.473 ' HG3' ' CG2' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -116.53 -32.02 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -60.45 108.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.86 30.09 13.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.071 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.6 t80 -48.61 177.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -35.58 -56.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 111.033 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.18 -63.38 0.38 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 28' ' ' TRP . 12.2 t -47.83 120.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.88 149.99 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.942 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.744 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 2.8 tp -49.4 -43.78 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.86 94.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' HA ' ' SG ' ' A' ' 116' ' ' CYS . 65.9 m-20 -65.07 -39.05 92.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.79 ' CE2' HG11 ' A' ' 23' ' ' VAL . 24.2 m95 -62.54 -59.35 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.801 HG21 HG22 ' A' ' 125' ' ' ILE . 46.7 t -51.71 -62.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.85 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -44.98 -48.1 11.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 108.292 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.598 HD11 ' CG ' ' A' ' 109' ' ' TRP . 25.9 tp -55.82 -52.79 62.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.61 -20.36 66.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -73.83 -55.85 5.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.464 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.9 t-80 -70.89 -22.83 62.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.64 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -75.47 -62.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 110.231 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.484 ' OG ' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -162.86 -68.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 65.0 t30 74.98 171.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 65.1 m-85 59.0 -111.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -87.44 134.17 33.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.656 HG22 HD12 ' A' ' 56' ' ' ILE . 29.1 p -84.61 50.7 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.9 ttt-85 -78.68 -16.8 56.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.484 ' HB2' ' OG ' ' A' ' 36' ' ' SER . . . -47.72 103.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.55 HG22 ' CB ' ' A' ' 54' ' ' TYR . 2.9 p -144.0 140.12 29.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -151.18 95.54 2.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.609 1.193 . . . . 0.0 109.373 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.401 ' HA ' HG23 ' A' ' 52' ' ' THR . 20.2 p90 -90.69 149.91 21.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -160.3 103.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -80.54 -29.88 37.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.77 -34.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLN . 5.5 t70 -136.6 32.08 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' ASP . 5.2 tp-100 34.24 60.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 72.3 m -149.93 114.43 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.677 HG21 ' CE2' ' A' ' 54' ' ' TYR . 2.5 m -110.9 165.84 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.0 OUTLIER -150.27 112.89 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.677 ' CE2' HG21 ' A' ' 52' ' ' THR . 0.1 OUTLIER -150.94 171.13 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.76 157.96 11.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.656 HD12 HG22 ' A' ' 40' ' ' THR . 5.1 tt -54.6 -40.91 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.611 0.83 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -92.22 11.68 24.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 49.73 79.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 76.8 mt -99.5 145.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.15 138.93 30.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 8.8 t -92.85 4.62 53.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.51 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 2.2 ptt180 -88.76 -15.79 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -126.9 -52.89 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CE3' ' HB3' ' A' ' 76' ' ' ALA . 81.7 m95 -97.11 154.94 17.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.685 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.01 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.32 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.494 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . 2.2 t-20 -96.2 -96.5 0.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 1.6 t70 173.54 -47.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.29 -1.02 81.92 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.47 1.106 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.82 -43.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 0.722 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -108.4 101.61 43.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 71.04 5.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.485 1.782 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 73' ' ' ALA . 1.4 mmt180 -141.51 -55.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -38.41 137.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 0.0 109.223 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 74' ' ' VAL . 15.0 p -88.71 59.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.494 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 28.9 p-10 -44.32 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . . . -81.53 -12.83 58.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.551 ' HB3' HD12 ' A' ' 79' ' ' ILE . 18.5 t -90.68 -25.74 19.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.09 53.41 30.11 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.685 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -149.11 166.34 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.254 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -83.27 123.78 29.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.427 ' SG ' ' OH ' ' A' ' 54' ' ' TYR . 83.7 m -47.72 -31.48 4.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -29.65 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -65.79 -10.7 39.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 65' ' ' CYS . 2.3 mt -103.09 8.53 38.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 85' ' ' LEU . 9.7 tp -137.53 11.6 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -93.13 -171.41 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -69.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.92 133.14 43.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ALA . 9.4 pt -93.52 1.02 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -43.64 -36.31 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.643 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -73.52 -40.98 63.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.674 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.83 -40.04 91.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 11.4 mt -72.48 -50.84 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -56.53 -48.82 76.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.764 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.6 OUTLIER -67.58 -42.77 81.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 108.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -50.68 -49.37 57.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -69.44 -43.76 72.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.6 OUTLIER -61.69 -23.43 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 95' ' ' CYS . 75.8 t -85.26 -57.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 96' ' ' ALA . 58.0 t -60.62 -22.3 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 -64.82 -16.19 62.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.513 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -77.48 178.44 2.11 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.04 1.81 7.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -69.31 -61.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.55 157.46 15.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.569 HD13 ' CZ3' ' A' ' 109' ' ' TRP . 6.5 mm -42.24 -28.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -41.96 -35.5 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.81 -35.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.615 1.197 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CG ' HD11 ' A' ' 31' ' ' LEU . 17.2 m-90 -102.41 64.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 108.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' ARG . 95.9 t -44.38 -27.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -47.08 -47.62 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -58.91 -35.68 73.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 107.987 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 110' ' ' VAL . 26.2 ttt180 -65.0 -15.42 62.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.02 30.94 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.55 -44.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.575 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.521 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.47 -53.96 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.227 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -14.58 23.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.1 -71.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -134.98 -166.97 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.65 104.04 5.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.867 ' O ' HD13 ' A' ' 121' ' ' LEU . 1.5 tm? -98.35 15.69 23.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.4 t -82.17 -16.21 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -72.01 -16.62 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -78.85 -30.15 44.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.801 HG22 HG21 ' A' ' 29' ' ' VAL . 1.1 pt -98.48 -27.23 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 2.9 ttt180 -78.53 123.18 26.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 19.3 t30 74.85 24.98 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -82.06 -33.18 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.62 36.37 1.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.776 ' O ' HG22 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 45.5 t -126.03 121.29 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.526 ' CE2' HG23 ' A' ' 89' ' ' ILE . 69.9 m-85 -140.73 118.37 11.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 5' ' ' ARG . 1.3 pt-20 -97.78 166.59 11.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' GLU . 1.1 ptt-85 -34.6 -56.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLU . 75.9 m -54.01 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.33 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 6' ' ' CYS . 4.1 mt-10 -34.47 -64.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.647 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -40.78 -53.31 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.649 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -56.86 -55.86 29.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -47.69 -59.46 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ASN . 17.5 m -50.47 -55.72 14.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -45.81 -53.63 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -65.72 -26.52 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' THR . 36.4 ttt85 -76.62 -27.08 55.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.0 t30 -89.72 -42.8 11.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.39 59.66 0.49 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.578 ' SD ' ' CZ2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -129.75 -41.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 0.719 . . . . 0.0 111.018 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.97 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -57.9 123.07 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 94.63 20.4 29.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.6 t80 -49.22 -178.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 110.988 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.94 -42.26 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.424 1.077 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.3 -64.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.08 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.004 HG11 HG13 ' A' ' 106' ' ' ILE . 11.6 m -45.02 114.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.3 165.72 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.97 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 29.7 tp -47.62 -44.16 26.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.58 91.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' OD2' HG12 ' A' ' 23' ' ' VAL . 32.3 t0 -64.01 -39.82 94.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ2' ' SD ' ' A' ' 17' ' ' MET . 71.8 m95 -65.92 -60.96 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.037 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.78 HG21 HG22 ' A' ' 125' ' ' ILE . 75.7 t -48.48 -57.69 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.737 ' HB3' HD12 ' A' ' 121' ' ' LEU . 1.5 p -53.88 -47.3 71.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.652 HD11 ' CD2' ' A' ' 109' ' ' TRP . 3.8 tp -53.61 -56.51 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.647 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -61.72 -25.22 67.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -68.12 -52.4 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.172 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -66.87 -22.96 65.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -77.13 -64.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.1 t -163.99 -67.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.585 ' O ' ' N ' ' A' ' 39' ' ' ASN . 7.5 t-20 66.76 176.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 14.5 m-85 62.45 -62.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.585 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.5 m120 -113.6 136.81 52.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.8 ' HB ' HD12 ' A' ' 56' ' ' ILE . 6.8 t -108.16 47.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ttp-105 -120.45 19.48 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 0.0 110.309 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.835 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -50.22 119.47 3.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.917 HG22 ' CD2' ' A' ' 54' ' ' TYR . 5.8 p -150.15 131.72 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.7 t30 -151.27 103.04 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.713 ' HA ' HG23 ' A' ' 52' ' ' THR . 1.7 t80 -87.82 149.14 24.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -161.81 103.79 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.12 -31.97 39.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.85 -42.92 1.17 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.428 1.08 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -120.15 30.56 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 0.818 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' A' ' 49' ' ' ASP . 3.6 tp60 33.49 54.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.528 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 53.8 p -146.48 150.48 35.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.173 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.713 HG23 ' HA ' ' A' ' 45' ' ' TYR . 98.9 m -135.07 154.54 51.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -124.22 99.48 6.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.917 ' CD2' HG22 ' A' ' 43' ' ' THR . 3.5 m-85 -126.29 158.41 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.835 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 102.04 146.03 17.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.8 HD12 ' HB ' ' A' ' 40' ' ' THR . 13.4 tt -53.54 -32.81 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -89.43 21.4 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 40.64 67.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.7 mt -89.96 133.26 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.622 1.202 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.1 t-20 -77.44 133.67 38.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -90.47 5.57 47.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.528 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 18.5 ttt180 -91.72 -20.24 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -122.66 -48.66 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.525 ' O ' ' HA ' ' A' ' 61' ' ' SER . 8.1 m-90 -110.74 154.47 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.039 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.535 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.8 OUTLIER 55.71 167.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.505 ' OD1' ' HB3' ' A' ' 73' ' ' ALA . 14.1 t30 -159.21 -167.87 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -121.97 -52.82 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.86 1.26 17.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -101.79 -17.26 16.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.592 0.819 . . . . 0.0 109.33 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -124.41 90.83 50.36 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 68.98 5.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -145.07 -50.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.505 ' HB3' ' OD1' ' A' ' 66' ' ' ASN . . . -42.72 164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 74' ' ' VAL . 14.9 p -120.04 53.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -50.26 96.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.46 -12.38 60.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.537 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.7 t -90.58 -36.95 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.11 55.64 18.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.631 HD13 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -150.78 173.52 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' ALA . 1.6 m120 -89.13 120.47 30.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.8 m -47.01 -30.37 2.59 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -38.96 75.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -61.13 -15.15 30.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 92' ' ' ALA . 17.2 mt -102.26 13.02 35.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.556 HD11 HG23 ' A' ' 43' ' ' THR . 0.8 OUTLIER -132.83 25.31 4.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.37 -165.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.349 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -76.28 -56.16 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 109.216 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -77.85 136.83 38.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.526 HG23 ' CE2' ' A' ' 3' ' ' TYR . 44.3 pt -87.05 3.74 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 t -44.5 -47.54 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.431 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 83' ' ' ALA . . . -68.59 -36.83 79.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.428 ' HA ' HD22 ' A' ' 84' ' ' LEU . . . -61.71 -48.23 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.3 mt -64.88 -48.58 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.408 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 1.5 tt0 -53.28 -45.62 68.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.4 t -70.62 -44.07 67.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.97 -49.97 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.538 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 22.0 pttt -70.12 -40.53 74.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.538 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 8.0 ttt180 -62.78 -25.0 68.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.521 HG22 ' CD1' ' A' ' 64' ' ' TRP . 17.5 t -85.9 -55.97 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.222 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -32.83 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -46.68 -27.83 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.302 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.485 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.18 177.65 1.67 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.07 -1.81 11.73 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -64.43 -61.91 1.93 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 0.0 110.354 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 77.27 153.21 5.53 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.004 HG13 HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -41.07 -29.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 0.805 . . . . 0.0 109.407 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' N ' ' C ' ' A' ' 105' ' ' GLY . 8.7 ttp180 -39.41 -35.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.18 -35.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.729 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 12.8 m-90 -90.48 57.12 3.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 113' ' ' ARG . 77.4 t -40.87 -29.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -45.28 -50.15 12.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.466 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -56.5 -39.48 73.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 107.99 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.466 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 9.3 ttp180 -61.72 -15.17 38.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.87 32.04 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.357 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -150.6 -45.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.67 -54.3 4.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 108.249 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.56 55.79 0.66 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -146.06 -61.63 0.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -170.07 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -88.58 99.53 12.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.852 ' O ' HD13 ' A' ' 121' ' ' LEU . 1.4 tm? -96.96 16.23 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.378 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.73 -27.43 40.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.71 -14.65 61.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -25.87 42.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.78 HG22 HG21 ' A' ' 29' ' ' VAL . 7.7 pt -101.83 -35.05 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.1 OUTLIER -74.85 122.5 23.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 45.6 t30 82.46 29.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' ILE . 0.3 OUTLIER -96.16 -32.89 12.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 111.92 38.4 1.41 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.595 1.185 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.562 0.801 . . . . 0.0 109.304 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 39' ' ' ASN . 2.4 t -146.92 127.13 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.907 ' CE2' HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -162.05 141.51 9.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.416 1.073 . . . . 0.0 111.04 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -109.44 174.08 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.92 -68.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -46.93 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.256 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -31.27 -68.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.816 ' CE1' ' CE2' ' A' ' 3' ' ' TYR . 1.6 t80 -42.53 -59.08 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.06 -51.46 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -63.1 -53.85 47.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.531 HG21 HD11 ' A' ' 89' ' ' ILE . 15.2 m -54.44 -54.35 42.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -54.51 -49.22 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -62.25 -29.23 70.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.83 -19.46 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -88.24 -40.71 13.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.01 41.87 1.62 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 ttt -122.42 -38.35 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.684 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -51.92 111.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 87.15 30.77 18.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' TYR . 22.6 t80 -47.92 178.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -33.86 -52.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.86 -64.52 0.2 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.672 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.5 t -44.6 122.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.14 151.79 21.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.79 ' O ' HG23 ' A' ' 29' ' ' VAL . 4.5 tp -47.46 -46.94 27.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.67 95.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -62.54 -37.64 86.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.672 ' CE2' HG11 ' A' ' 23' ' ' VAL . 59.6 m95 -65.87 -61.05 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 108.046 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 25' ' ' LEU . 12.3 t -50.54 -55.1 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.844 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -52.33 -49.84 63.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.449 1.093 . . . . 0.0 108.265 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 109' ' ' TRP . 1.5 tm? -48.89 -57.23 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.527 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -68.57 -20.69 64.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.388 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 29' ' ' VAL . 4.8 tm0? -66.12 -53.4 38.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' ND1' ' A' ' 115' ' ' HIS . 5.6 t-160 -64.09 -17.73 63.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.666 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 5.1 mm-40 -81.18 -66.69 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.8 p -164.07 -67.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.581 ' HA ' HD11 ' A' ' 56' ' ' ILE . 5.5 t30 73.69 170.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 3' ' ' TYR . 9.8 m-85 69.42 -58.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.422 ' HB3' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -138.7 131.58 29.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.6 HG22 HD12 ' A' ' 56' ' ' ILE . 18.3 p -76.66 54.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 110.381 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -6.7 58.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -52.11 103.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 1.067 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.1 p -147.47 123.95 11.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.456 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.78 101.24 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.414 ' HA ' HG23 ' A' ' 52' ' ' THR . 3.0 t80 -88.3 154.95 20.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -159.85 104.23 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -76.7 -34.73 58.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -37.15 -39.79 0.49 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.599 1.187 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 50' ' ' GLN . 36.5 t70 -125.33 33.04 5.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 49' ' ' ASP . 14.2 pt20 32.91 44.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 67.9 m -132.97 147.85 52.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.944 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.714 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.6 m -139.92 133.36 30.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 110.36 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -104.38 95.87 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 1.067 ' CD2' HG22 ' A' ' 43' ' ' THR . 5.0 m-85 -126.05 159.77 31.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 111.058 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.665 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 105.64 145.11 12.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.907 HD13 ' CE2' ' A' ' 3' ' ' TYR . 5.6 tt -51.13 -35.18 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.406 ' O ' ' NE1' ' A' ' 109' ' ' TRP . 22.2 m-85 -89.9 19.96 4.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' GLY . 3.6 tp60 42.27 69.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.1 mt -95.25 141.12 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' THR . 3.1 p30 -85.42 131.8 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.216 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' THR . 12.3 m -90.34 11.59 20.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.15 -19.99 24.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.362 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -126.22 -54.96 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.951 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 1.4 m95 -97.41 160.55 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.755 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 58.21 160.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -140.42 -164.2 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -137.43 -51.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.2 -3.61 28.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -113.75 -13.3 12.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.9 m -121.25 86.78 43.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 55.33 3.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.54 -50.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.85 167.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 76' ' ' ALA . 14.3 p -119.99 47.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -41.24 96.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -84.76 -8.28 58.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.663 ' HB3' HD12 ' A' ' 79' ' ' ILE . 1.8 t -89.82 -30.7 17.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.436 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 64.68 51.21 53.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.755 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -150.39 134.27 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -63.47 119.65 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.734 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -46.09 -26.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 80' ' ' ASN . 3.1 m -54.82 -35.98 64.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.86 -18.85 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 81' ' ' CYS . 0.7 OUTLIER -106.62 18.59 21.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.67 -75.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -143.94 31.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.02 -67.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -168.1 -179.85 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.213 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.531 HD11 HG21 ' A' ' 11' ' ' THR . 2.6 pt -98.74 -17.81 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.4 -45.16 12.54 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.459 1.099 . . . . 0.0 110.485 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.85 82.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.707 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -63.2 -37.7 88.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.5 mt -71.97 -53.85 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -54.88 -47.08 74.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 110.363 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.519 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -69.5 -41.29 76.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 108.315 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -51.59 -48.04 63.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 3.8 ptpt -71.8 -43.56 65.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 2.7 ttt180 -63.22 -21.75 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 95' ' ' CYS . 26.5 t -88.63 -58.09 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -31.63 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -48.28 -27.57 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.604 1.19 . . . . 0.0 110.372 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.474 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -71.62 176.6 2.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.0 Cg_endo -75.09 2.08 7.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -68.25 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 76.3 160.77 10.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.545 HD13 ' CZ3' ' A' ' 109' ' ' TRP . 3.6 mm -41.0 -29.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -42.71 -34.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.3 -34.93 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.729 ' HB2' HD21 ' A' ' 31' ' ' LEU . 19.1 m-90 -98.93 64.43 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 113' ' ' ARG . 76.3 t -41.61 -29.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.504 ' HB1' ' ND1' ' A' ' 34' ' ' HIS . . . -46.35 -48.72 18.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.087 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.407 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -53.96 -37.98 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 107.995 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 110' ' ' VAL . 7.5 ttt180 -61.33 -15.83 39.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.273 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.03 32.87 4.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.599 ' ND1' ' CE1' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -146.63 -46.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.671 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -54.59 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 108.319 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.68 56.95 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -144.83 -58.38 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.61 -170.3 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -94.31 100.51 12.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.844 HD22 ' HB3' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -93.01 15.05 15.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -24.35 62.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -12.66 60.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.52 -33.89 54.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.571 HG22 HG21 ' A' ' 29' ' ' VAL . 1.2 pt -96.22 -34.53 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 127' ' ' ASN . 18.8 tpt180 -76.88 109.87 11.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 163.68 -27.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -24.34 60.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.261 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 103.14 30.38 5.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.4 tptt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.3 t -147.26 118.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.226 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' TYR . 8.6 m-85 -163.21 137.89 6.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 5' ' ' ARG . 22.9 pt-20 -99.31 174.68 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.563 ' HA ' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -37.49 -65.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -45.82 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 108.334 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -35.26 -65.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 0.8 OUTLIER -40.7 -51.33 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.11 -57.26 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -52.42 -54.92 25.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.6 m -51.13 -52.76 40.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 2.3 mp -51.91 -56.67 12.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.617 ' HG2' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -61.05 -24.7 66.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' ARG . 1.3 ttt180 -81.91 -25.32 35.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.7 t30 -90.14 -44.02 10.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.22 42.33 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -124.04 -38.42 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 111.018 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.951 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -49.24 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' MET . . . 107.58 29.17 4.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.471 ' O ' ' C ' ' A' ' 21' ' ' TYR . 5.6 t80 -47.25 177.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.981 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -31.82 -44.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.77 -66.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.751 HG22 ' CD1' ' A' ' 28' ' ' TRP . 2.3 p -52.38 111.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -89.95 166.4 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.951 HD22 ' HB1' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -49.87 -31.53 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.76 67.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.621 ' HB3' HG23 ' A' ' 23' ' ' VAL . 54.0 t0 -65.71 -35.17 79.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.751 ' CD1' HG22 ' A' ' 23' ' ' VAL . 86.4 m95 -66.37 -58.93 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 25' ' ' LEU . 60.4 t -50.79 -59.06 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.781 ' HB3' HD22 ' A' ' 121' ' ' LEU . 1.2 p -52.92 -45.13 67.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.924 HD22 HD12 ' A' ' 106' ' ' ILE . 22.8 tp -55.13 -52.56 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . . . -66.44 -23.31 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' VAL . 35.2 tp60 -69.31 -53.2 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -64.83 -23.59 67.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.589 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 4.8 mm-40 -80.7 -59.66 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.365 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.78 -64.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 39' ' ' ASN . 4.9 t-20 65.42 179.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 5.5 m-85 61.3 -62.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.613 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.8 m-20 -127.62 145.26 50.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.729 HG22 HD12 ' A' ' 56' ' ' ILE . 52.8 p -98.15 55.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.54 ' O ' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -90.45 -19.97 23.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 54' ' ' TYR . . . -40.49 98.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 41' ' ' ARG . 5.1 p -136.95 129.26 29.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.465 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.41 89.12 1.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.657 ' CE2' HG21 ' A' ' 52' ' ' THR . 38.4 m-85 -90.3 158.68 17.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -162.03 104.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.3 ttm180 -74.16 -32.1 62.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.26 -35.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -139.18 32.96 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 49' ' ' ASP . 21.5 tp60 34.18 53.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 93.2 p -137.88 116.15 11.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.657 HG21 ' CE2' ' A' ' 45' ' ' TYR . 2.3 m -112.87 152.52 29.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -135.97 105.43 6.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.7 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 p90 -152.63 167.66 28.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.59 156.96 10.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.729 HD12 HG22 ' A' ' 40' ' ' THR . 1.2 tt -46.89 -38.52 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 18.5 m-85 -104.35 24.21 11.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 39.66 77.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.2 mt -96.17 149.86 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -90.61 135.37 33.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.66 0.61 57.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.423 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 1.3 ttt180 -88.07 -15.6 35.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.47 -60.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.887 ' CD2' HG22 ' A' ' 99' ' ' VAL . 84.2 m95 -92.36 159.51 15.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.532 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.09 154.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 1.5 t-20 -134.87 -170.82 2.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -127.98 -48.78 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.52 -0.36 37.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -131.22 12.54 5.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 0.79 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 70' ' ' THR . 1.4 m -129.76 88.76 48.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.47 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.52 5.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.44 -62.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.84 162.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' ALA . 8.2 p -123.0 59.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 4.8 p-10 -43.08 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -79.62 -10.06 59.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.9 t -91.32 -30.63 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.312 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.48 45.26 96.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.581 HD13 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -137.87 169.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' N ' HG12 ' A' ' 79' ' ' ILE . 4.3 m-20 -72.45 121.59 19.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.593 1.183 . . . . 0.0 109.378 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.429 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 1.3 m -51.02 -29.85 13.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 5.6 p -59.76 -23.59 63.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.889 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -65.91 -10.18 36.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.7 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 16.1 mt -101.9 6.08 41.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.6 tp -145.07 16.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 82' ' ' SER . 4.0 mm-40 -90.21 -172.45 3.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.17 -70.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -56.87 142.26 41.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 93' ' ' ILE . 4.8 pt -95.62 -0.09 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -42.81 -37.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.889 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -73.63 -43.45 59.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -56.6 -40.83 75.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 89' ' ' ILE . 8.7 mt -73.19 -53.93 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -54.64 -43.94 72.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.8 t -70.72 -43.66 68.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -51.55 -45.25 62.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -73.11 -44.43 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 12.4 tpt180 -60.75 -27.63 68.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 110.351 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.887 HG22 ' CD2' ' A' ' 64' ' ' TRP . 15.3 t -82.92 -56.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 102' ' ' ASP . 16.4 t -54.49 -30.54 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.46 -22.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.519 ' OD2' ' CG ' ' A' ' 104' ' ' GLN . 0.0 OUTLIER -57.95 174.82 0.31 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.224 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.94 -34.83 3.6 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.551 1.816 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.519 ' CG ' ' OD2' ' A' ' 102' ' ' ASP . 3.6 mm100 -56.84 -62.27 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 90.37 -178.49 43.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.924 HD12 HD22 ' A' ' 31' ' ' LEU . 4.0 mm -40.57 -29.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.581 0.812 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 105' ' ' GLY . 6.1 ttt180 -38.92 -38.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.04 -37.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.6 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 20.1 m-90 -96.71 67.01 2.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 113' ' ' ARG . 13.7 p -48.97 -23.33 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.79 -41.27 44.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.52 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -65.41 -30.95 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 107.946 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.496 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 34.6 ttt180 -66.94 -15.2 63.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.09 31.34 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 -44.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.74 -54.52 4.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 108.329 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -8.99 25.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -69.76 -64.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.45 -171.5 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -85.44 102.06 13.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.781 HD22 ' HB3' ' A' ' 30' ' ' CYS . 2.1 tt -91.72 14.03 16.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 m -72.17 -28.93 63.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -12.66 61.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -76.39 -33.58 58.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.8 pt -92.61 -39.75 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -69.48 101.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.0 OUTLIER 161.75 -27.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -24.84 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 108.349 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 104.81 29.06 5.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.778 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.564 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 76.4 t -121.52 137.94 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE2' HG12 ' A' ' 89' ' ' ILE . 7.4 m-85 -155.28 107.5 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.2 176.02 5.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.574 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -45.16 -48.75 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -58.27 -76.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 108.266 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -36.66 -65.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -47.22 -50.95 19.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.564 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -52.95 -50.58 63.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -57.43 -56.6 19.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ASN . 3.9 m -52.49 -56.07 17.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.591 HD23 ' HB2' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -48.83 -55.27 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -62.41 -26.1 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.8 tpt85 -81.09 -23.73 38.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -89.39 -42.53 11.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.44 51.98 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.02 -39.73 2.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.754 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.973 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -59.02 137.31 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.17 18.54 62.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' HB3' HG23 ' A' ' 23' ' ' VAL . 5.3 t80 -48.86 179.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 0.789 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -31.68 -45.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.932 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.84 -66.09 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.969 HG11 HG13 ' A' ' 106' ' ' ILE . 4.6 m -42.63 112.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.94 162.71 14.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 109.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.973 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 24.7 tp -46.11 -44.94 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.95 94.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.0 -38.13 89.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.469 ' CZ3' HD11 ' A' ' 106' ' ' ILE . 87.5 m95 -65.04 -63.09 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 108.026 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.577 HG21 ' CG2' ' A' ' 125' ' ' ILE . 2.8 t -45.53 -55.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.444 ' HB2' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -49.63 -59.88 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.265 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.618 ' CD1' HG23 ' A' ' 106' ' ' ILE . 4.6 tt -51.66 -41.54 61.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.502 ' HB1' ' ND2' ' A' ' 37' ' ' ASN . . . -66.88 -29.12 68.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 34.4 tp60 -72.59 -52.83 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.689 ' ND1' ' HB1' ' A' ' 111' ' ' ALA . 8.2 t-160 -58.02 -25.82 61.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.612 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.9 mm-40 -75.96 -64.63 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER 159.57 52.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.901 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 39' ' ' ASN . 1.9 t-20 -59.23 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 61.67 -62.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.614 1.196 . . . . 0.0 111.01 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.594 ' N ' ' O ' ' A' ' 37' ' ' ASN . 13.5 m120 -108.34 146.98 32.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.42 HG21 ' CD1' ' A' ' 3' ' ' TYR . 31.5 p -122.75 51.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.436 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -114.5 5.87 15.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.31 93.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.434 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 3.2 p -138.96 125.46 20.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.413 1.071 . . . . 0.0 110.439 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.4 92.28 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.453 ' HA ' HG23 ' A' ' 52' ' ' THR . 54.4 p90 -88.89 159.28 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -162.49 106.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 48' ' ' GLY . 1.1 tpp180 -75.66 -31.08 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.15 -37.35 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.3 t0 -136.97 34.69 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 70' ' ' THR . 7.7 tm0? 34.68 52.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 60.0 p -139.91 121.95 15.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.608 1.192 . . . . 0.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 61' ' ' SER . 2.1 m -117.49 131.24 56.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -108.82 103.37 12.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.619 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -153.21 169.05 23.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.047 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.34 148.07 9.66 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.451 1.094 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.474 ' CG2' ' HB1' ' A' ' 92' ' ' ALA . 0.9 OUTLIER -47.4 -33.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' GLN . 3.5 m-30 -105.5 31.04 5.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 33.97 79.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.7 mt -105.41 142.7 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -87.49 140.27 29.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 52' ' ' THR . 4.5 m -90.7 1.84 56.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.963 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.513 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 6.4 ptm180 -88.62 -4.17 58.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -135.46 -44.74 0.68 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 76' ' ' ALA . 9.9 m-90 -108.93 162.04 14.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.012 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.759 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.6 OUTLIER 60.61 146.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.414 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 6.0 p30 -117.25 170.63 8.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -136.5 -58.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.1 3.25 36.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.84 -16.05 27.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.468 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 1.2 m -145.2 106.06 4.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.82 4.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.801 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 -46.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.2 160.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 74' ' ' VAL . 5.2 p -123.6 54.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -40.12 99.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.447 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . . . -84.38 -10.87 57.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.9 t -92.19 -37.82 12.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.309 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.75 53.94 21.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.759 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -148.51 151.19 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.8 . . . . 0.0 109.331 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 4.6 m120 -61.07 125.6 24.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.437 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 86.1 m -56.48 -36.03 68.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -25.03 19.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.432 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -62.01 -22.96 66.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 5.8 mt -96.65 7.39 46.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.33 19.72 12.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.2 -161.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -71.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.09 153.67 4.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.226 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 3' ' ' TYR . 7.8 pt -99.03 5.65 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.372 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.0 t -44.04 -32.44 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.4 55.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.474 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -62.22 -38.39 89.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.427 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 13.4 mt -73.3 -52.08 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 2.5 tp60 -56.34 -42.7 78.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 99' ' ' VAL . 3.3 t -70.62 -49.31 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 108.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.694 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -47.98 -45.49 31.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -72.01 -44.37 63.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.218 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 3.8 tpt180 -59.95 -24.52 64.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 95' ' ' CYS . 56.4 t -86.34 -55.46 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.075 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 96' ' ' ALA . 84.2 t -56.17 -27.52 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -52.09 -19.73 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.231 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.474 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -80.26 176.68 3.55 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.05 0.37 9.01 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.425 1.75 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.24 -63.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.461 ' HA2' HG13 ' A' ' 100' ' ' VAL . . . 79.6 160.82 21.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.969 HG13 HG11 ' A' ' 23' ' ' VAL . 1.2 mm -42.92 -28.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -40.7 -36.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.359 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.78 -35.85 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.61 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 9.6 m-90 -92.36 68.63 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 107.985 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 10.9 p -43.85 -27.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.689 ' HB1' ' ND1' ' A' ' 34' ' ' HIS . . . -49.33 -48.34 46.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.518 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -53.82 -28.6 36.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 108.027 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.466 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 9.6 ttp85 -69.21 -19.87 63.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -129.05 32.69 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -150.72 -43.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.561 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 28.6 m -88.59 -62.89 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.73 55.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -128.88 -66.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.22 -168.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -85.39 97.35 9.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.862 ' O ' HD13 ' A' ' 121' ' ' LEU . 1.5 tm? -100.36 16.81 23.23 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -25.85 38.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -69.6 -9.74 55.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.574 ' CE2' ' HD2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -77.62 -35.55 52.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.577 ' CG2' HG21 ' A' ' 29' ' ' VAL . 4.3 pt -92.32 -36.49 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 23.5 tpt180 -64.32 102.89 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.4 OUTLIER 162.35 -28.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -25.28 59.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 102.93 27.61 6.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.582 0.813 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.492 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.575 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 3.3 p -122.01 139.86 47.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 2' ' ' VAL . 3.2 m-85 -166.04 123.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' ARG . 10.0 pt-20 -103.93 167.4 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -38.85 -58.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -53.09 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.165 . . . . 0.0 108.274 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -35.62 -64.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 110.27 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 6.3 t80 -40.33 -55.99 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.92 -54.58 40.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -48.13 -59.83 3.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASN . 3.5 m -52.99 -56.8 13.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.401 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -45.08 -49.38 11.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -32.15 73.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' THR . 12.5 ttt180 -74.16 -25.83 59.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.57 -40.09 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.24 48.92 0.74 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.21 -39.06 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.584 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -50.62 108.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.04 34.87 25.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' TYR . 55.0 t80 -47.76 176.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -35.84 -46.98 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -124.05 -56.87 0.18 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.421 1.076 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.779 HG11 ' CE2' ' A' ' 28' ' ' TRP . 39.9 t -50.22 124.44 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.431 0.724 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -90.37 146.74 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.584 HD22 ' HB1' ' A' ' 18' ' ' ALA . 11.2 tp -49.04 -45.02 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.86 -45.97 85.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.603 ' HA ' ' CE3' ' A' ' 112' ' ' TRP . 6.0 t0 -63.49 -34.27 77.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.779 ' CE2' HG11 ' A' ' 23' ' ' VAL . 7.5 m95 -64.13 -62.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.879 HG21 HG22 ' A' ' 125' ' ' ILE . 58.2 t -54.42 -59.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.353 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 33' ' ' GLN . 4.4 t -43.33 -57.68 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.957 HD11 ' CE3' ' A' ' 109' ' ' TRP . 3.0 tt -49.48 -48.14 48.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . . . -65.21 -23.76 67.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' VAL . 41.7 tp60 -76.0 -57.64 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.462 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 34.3 t-80 -57.74 -26.19 61.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.671 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' OE2' ' NE1' ' A' ' 109' ' ' TRP . 8.3 mm-40 -75.3 -59.98 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.7 t -174.69 -63.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' A' ' 39' ' ' ASN . 2.9 t-20 65.69 -175.75 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.575 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 16.0 m-85 62.14 -60.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.615 ' N ' ' O ' ' A' ' 37' ' ' ASN . 28.8 t-20 -139.75 154.57 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.729 HG22 HD12 ' A' ' 56' ' ' ILE . 7.7 p -102.03 51.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -82.6 -19.88 37.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 110.272 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 54' ' ' TYR . . . -45.92 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.499 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 6.6 p -138.08 121.11 16.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -140.71 89.59 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.205 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.568 ' HA ' HG23 ' A' ' 52' ' ' THR . 39.4 p90 -89.02 154.17 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -161.73 103.37 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.9 ttt180 -76.02 -31.94 59.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.55 -33.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -137.0 33.47 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HG2' HG21 ' A' ' 70' ' ' THR . 41.9 tp60 35.95 53.47 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.537 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 95.5 p -138.35 140.61 39.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.568 HG23 ' HA ' ' A' ' 45' ' ' TYR . 7.7 m -142.07 129.93 21.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER -112.58 105.92 14.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.699 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.4 p90 -153.79 166.05 34.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.12 152.93 9.46 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.729 HD12 HG22 ' A' ' 40' ' ' THR . 1.6 tt -49.23 -33.12 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.22 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.625 ' CD1' HD22 ' A' ' 31' ' ' LEU . 6.1 m-85 -104.43 21.63 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PHE . 2.4 tt0 38.53 82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.354 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.3 mt -108.1 147.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 52' ' ' THR . 2.2 m-80 -90.83 138.26 31.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' THR . 22.9 t -91.03 2.08 56.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.051 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.537 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 3.1 ptm180 -89.28 8.7 29.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -150.32 -48.31 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.434 ' O ' ' O ' ' A' ' 65' ' ' CYS . 20.9 m-90 -109.08 163.63 13.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 107.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.778 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.83 140.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 108.294 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -120.54 -178.78 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 24.6 t0 -132.92 -47.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.12 -1.75 54.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -114.67 -5.73 12.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.575 HG21 ' HG2' ' A' ' 50' ' ' GLN . 1.8 m -129.78 90.77 42.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.85 -56.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.45 160.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 74' ' ' VAL . 3.1 p -120.8 52.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.667 HD21 ' N ' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -38.09 97.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.175 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -84.28 -12.29 54.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.529 ' SG ' HD12 ' A' ' 79' ' ' ILE . 19.1 t -90.22 -38.01 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 108.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.16 56.32 10.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.778 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -145.64 149.45 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.581 0.812 . . . . 0.0 109.271 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.433 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 12.4 m-20 -57.23 124.5 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.425 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 3.1 m -51.24 -34.75 33.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 108.268 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.507 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -59.7 -25.2 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.77 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -62.29 -15.13 45.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.699 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 17.9 mt -98.73 2.66 47.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.75 11.73 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 82' ' ' SER . 2.0 mm-40 -90.37 -172.33 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.55 -71.28 0.5 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.409 1.068 . . . . 0.0 109.33 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -53.27 126.44 21.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.788 HD11 HD11 ' A' ' 93' ' ' ILE . 2.0 pt -86.43 1.91 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.77 -35.95 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.77 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -75.43 -40.28 57.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -59.66 -40.65 88.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.788 HD11 HD11 ' A' ' 89' ' ' ILE . 7.9 mt -74.95 -52.59 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.488 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 4.4 tp60 -56.23 -43.34 78.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 99' ' ' VAL . 11.1 t -69.85 -53.72 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.347 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -43.6 -48.4 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.546 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 5.1 pttt -72.01 -40.15 68.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.546 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 8.1 tpt180 -63.03 -23.31 67.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 42.9 t -88.71 -57.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.98 -27.37 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -19.34 3.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.5 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -75.52 177.93 2.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.04 1.83 7.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.83 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 83.37 158.59 26.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.773 HD12 HD12 ' A' ' 31' ' ' LEU . 7.8 mm -41.38 -27.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.45 0.735 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 105' ' ' GLY . 7.5 ttt180 -35.28 -34.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 106' ' ' ILE . . . -44.73 -35.73 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.957 ' CE3' HD11 ' A' ' 31' ' ' LEU . 16.0 m-90 -104.62 50.31 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' A' ' 113' ' ' ARG . 12.2 p -42.7 -24.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.474 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -44.44 -49.08 9.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.743 ' CE3' ' CB ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.22 -35.37 73.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 108.085 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -76.07 -9.27 58.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.218 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.01 29.45 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.3 OUTLIER -152.56 -46.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.612 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.891 ' SG ' HD13 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -89.36 -50.27 6.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -63.51 59.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 116' ' ' CYS . 4.9 t30 -156.88 -44.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.51 -170.23 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -96.14 99.41 11.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.891 HD13 ' SG ' ' A' ' 116' ' ' CYS . 0.8 OUTLIER -100.54 17.73 20.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -22.89 56.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 123' ' ' GLN . 8.7 tp60 -72.38 -13.74 61.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -31.0 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.879 HG22 HG21 ' A' ' 29' ' ' VAL . 2.0 pt -99.51 -34.35 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 7.2 tpt180 -82.36 110.36 17.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 160.49 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -24.2 59.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 108.54 33.05 2.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 38' ' ' TYR . 74.3 t -131.2 124.89 56.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.762 ' CZ ' HD13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -158.38 156.88 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.421 ' HA ' ' OD1' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -120.83 -177.78 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.51 -64.75 0.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 7' ' ' GLU . 75.2 m -44.47 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 108.4 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.1 mm-40 -32.26 -65.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.732 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 t80 -44.63 -55.44 5.21 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.423 1.077 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.602 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -49.96 -51.66 39.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.94 -57.54 11.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.1 m -54.55 -54.17 44.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.35 -51.73 18.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HD2' HG11 ' A' ' 130' ' ' VAL . 28.1 tttt -66.17 -29.46 69.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -75.75 -24.74 56.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -89.45 -39.93 13.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.97 45.71 0.74 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.451 ' SD ' ' CD1' ' A' ' 20' ' ' TYR . 48.2 tpp -123.22 -38.35 2.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 0.802 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.605 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -50.13 110.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.72 32.95 23.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.451 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 15.8 t80 -49.22 179.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -36.41 -50.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.16 -60.42 0.2 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.747 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.1 t -49.2 121.39 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.9 t -90.23 147.21 23.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.605 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 16.4 tp -46.08 -45.81 16.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HA ' HG21 ' A' ' 125' ' ' ILE . . . -59.9 -40.2 87.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 5.3 m-20 -65.48 -38.02 88.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.747 ' CE2' HG11 ' A' ' 23' ' ' VAL . 27.7 m95 -63.55 -58.15 7.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.853 HG21 HG22 ' A' ' 125' ' ' ILE . 43.1 t -52.35 -62.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.656 ' CB ' HD23 ' A' ' 121' ' ' LEU . 1.1 p -49.21 -45.45 44.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 108.38 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.537 HD11 ' CG ' ' A' ' 109' ' ' TRP . 33.8 tp -55.53 -54.45 43.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.377 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.26 -18.9 65.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' VAL . 4.5 tp-100 -72.75 -56.64 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -66.87 -19.44 65.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -78.56 -66.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -158.97 -70.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 2.5 t-20 67.32 172.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.865 ' O ' HG13 ' A' ' 2' ' ' VAL . 9.0 m-85 71.62 -58.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 2' ' ' VAL . 12.0 t-20 -134.2 150.13 51.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 1.06 HG22 HD12 ' A' ' 56' ' ' ILE . 10.4 p -111.21 67.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 43' ' ' THR . 34.3 ttm180 -112.98 -2.19 14.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -40.46 102.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.642 HG21 HD11 ' A' ' 85' ' ' LEU . 9.2 p -146.25 115.38 7.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.21 96.9 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.678 ' HA ' HG23 ' A' ' 52' ' ' THR . 28.8 p90 -87.47 155.6 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -161.6 104.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -31.08 62.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -36.5 -36.3 0.15 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -130.37 32.72 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 49' ' ' ASP . 36.4 tp60 35.09 53.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.548 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 85.8 p -145.1 154.79 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.783 HG22 ' CD1' ' A' ' 54' ' ' TYR . 10.9 m -146.5 130.47 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -95.91 92.83 6.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.783 ' CD1' HG22 ' A' ' 52' ' ' THR . 3.2 m-85 -122.21 156.33 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.629 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 100.47 144.32 15.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.06 HD12 HG22 ' A' ' 40' ' ' THR . 16.4 tt -51.63 -31.76 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -89.48 21.25 3.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 38.81 67.36 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.1 mt -93.07 136.42 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.4 m-80 -81.35 131.42 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 6.7 t -83.07 7.23 16.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.548 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 5.0 ptm180 -91.38 11.28 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -151.18 -48.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.073 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CE2' HG22 ' A' ' 99' ' ' VAL . 13.9 m95 -119.88 155.22 33.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.017 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.442 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 61.99 132.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 108.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -161.75 -166.75 1.53 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.411 ' OD2' ' CB ' ' A' ' 69' ' ' LYS . 1.7 t0 -118.58 -53.57 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.26 -2.24 20.67 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' CB ' ' OD2' ' A' ' 67' ' ' ASP . 2.4 tttp -99.25 -8.03 25.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.632 0.842 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.587 ' O ' HG23 ' A' ' 70' ' ' THR . 8.3 t -108.94 103.4 51.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.15 3.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.22 -68.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -173.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -150.54 97.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -67.36 63.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -55.41 -17.92 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 1.4 t -88.18 -29.99 20.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.381 1.051 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 79' ' ' ILE . . . 67.04 53.58 25.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -152.6 149.56 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.561 0.8 . . . . 0.0 109.229 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' SER . 2.2 m-20 -75.64 124.28 26.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.813 ' HA ' HD12 ' A' ' 84' ' ' LEU . 71.8 m -45.85 -27.16 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' ASN . 5.6 t -55.57 -39.17 70.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -18.92 27.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -100.24 13.63 33.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 43' ' ' THR . 0.4 OUTLIER -129.86 23.26 5.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -119.74 -168.09 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.3 -62.12 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.44 112.14 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' ALA . 20.3 pt -86.57 2.41 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.82 -36.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.87 -42.32 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.12 -40.03 88.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.2 mt -71.12 -49.6 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.13 -48.84 75.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -68.33 -41.33 80.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.285 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -50.93 -50.68 57.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 13.1 pttt -69.71 -43.77 71.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.486 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -61.62 -23.29 65.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.54 HG22 ' CE2' ' A' ' 64' ' ' TRP . 14.1 t -85.53 -57.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.66 -28.23 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -52.38 -20.15 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.472 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -78.38 176.59 3.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.227 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -74.97 0.96 8.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -66.97 -60.84 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 107' ' ' ARG . . . 76.54 157.8 7.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.621 HG13 HG22 ' A' ' 23' ' ' VAL . 4.3 mm -39.45 -30.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.241 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 105' ' ' GLY . 25.6 ttt180 -40.11 -36.2 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.26 -35.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.537 ' CG ' HD11 ' A' ' 31' ' ' LEU . 25.4 m-90 -97.88 62.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 113' ' ' ARG . 63.3 t -40.26 -30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -44.87 -50.22 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.01 -39.72 75.28 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.49 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -63.12 -15.4 56.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.395 1.06 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.45 30.92 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.84 -47.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.638 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.4 OUTLIER -89.38 -53.41 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.356 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.77 55.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -141.92 -62.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.57 -170.0 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -88.8 100.08 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.656 HD23 ' CB ' ' A' ' 30' ' ' CYS . 13.1 tp -101.03 20.12 16.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -72.4 -25.34 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.13 -12.49 60.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -28.64 56.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.853 HG22 HG21 ' A' ' 29' ' ' VAL . 1.1 pt -106.0 -31.45 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -78.22 131.52 37.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 72.26 22.5 3.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -89.18 -35.76 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 108.346 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 175.75 -33.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.503 HG11 ' HD2' ' A' ' 13' ' ' LYS . 53.2 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.483 ' N ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.449 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 95.5 t -95.55 128.97 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.587 ' O ' ' N ' ' A' ' 38' ' ' TYR . 2.3 m-85 -164.48 102.62 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 5' ' ' ARG . 7.2 pt-20 -109.46 172.32 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.573 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 15.5 ptt-85 -37.07 -56.61 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.0 m -55.54 -80.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 108.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' CYS . 2.1 mm-40 -34.01 -65.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.601 ' CE1' HG21 ' A' ' 56' ' ' ILE . 8.9 t80 -42.83 -49.6 5.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -55.05 39.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' ARG . 18.3 ttt85 -48.42 -55.69 10.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ASN . 12.5 m -53.96 -54.71 35.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.445 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.59 -53.32 11.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -26.09 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 10' ' ' ARG . 57.6 ttt180 -76.74 -24.32 53.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -89.04 -40.86 12.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.23 50.94 1.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.1 tpt -118.04 -36.46 3.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.573 0.807 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.844 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -62.91 152.47 36.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 85.56 10.76 76.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' GLY . 1.4 t80 -46.94 177.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.76 -55.86 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -122.56 -65.79 0.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 28' ' ' TRP . 4.4 p -45.0 105.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASP . 58.3 p -90.2 161.94 15.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.574 1.171 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.844 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 21.0 tp -43.59 -45.45 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.42 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.55 ' OD1' ' CD1' ' A' ' 112' ' ' TRP . 37.6 t0 -63.17 -39.37 94.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.715 ' CD1' HG22 ' A' ' 23' ' ' VAL . 87.3 m95 -65.87 -59.69 3.6 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.611 HG21 ' CG2' ' A' ' 125' ' ' ILE . 32.4 t -45.6 -56.66 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.53 ' HB3' HD12 ' A' ' 121' ' ' LEU . 5.9 p -57.51 -48.4 79.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 57' ' ' PHE . 2.7 tm? -50.18 -49.68 51.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.646 ' HB2' ' HE1' ' A' ' 57' ' ' PHE . . . -76.22 -20.1 57.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.583 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 4.5 tm0? -66.64 -53.18 36.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.624 ' CG ' ' HB1' ' A' ' 111' ' ' ALA . 3.5 t60 -56.3 -21.71 25.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.2 mm-40 -81.78 -62.52 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER 157.63 72.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.04 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.576 ' CG ' ' O ' ' A' ' 37' ' ' ASN . 5.4 p30 -71.96 107.18 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CZ ' ' HB2' ' A' ' 39' ' ' ASN . 2.5 p90 174.92 -33.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.639 ' HB2' ' CZ ' ' A' ' 38' ' ' TYR . 3.3 m120 -150.38 160.71 43.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 1' ' ' LYS . 0.7 OUTLIER -119.84 44.7 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 43' ' ' THR . 14.7 ttt180 -114.8 -20.74 10.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' ARG . . . -38.86 106.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.988 HG22 ' HB2' ' A' ' 54' ' ' TYR . 4.8 p -138.54 146.86 42.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.8 m120 -151.39 93.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.423 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 46.5 p90 -92.08 162.51 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -162.47 104.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . 13.9 ttt180 -76.97 -29.58 55.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -32.79 -36.81 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' ARG . 11.1 t0 -139.0 35.13 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.2 tp-100 34.96 55.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.547 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 97.0 p -143.91 110.0 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.567 HG21 ' CE2' ' A' ' 54' ' ' TYR . 1.2 m -105.88 164.22 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -152.0 114.72 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.988 ' HB2' HG22 ' A' ' 43' ' ' THR . 0.1 OUTLIER -152.02 176.73 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.63 156.64 23.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.601 HG21 ' CE1' ' A' ' 8' ' ' PHE . 1.2 mm -47.29 -45.84 9.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.548 0.793 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.646 ' HE1' ' HB2' ' A' ' 32' ' ' ALA . 33.2 m-85 -89.48 16.93 6.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 40.4 71.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 10.6 mt -88.21 143.97 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.436 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 11.4 t-20 -86.6 139.12 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.431 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -92.66 -0.54 57.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.65 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 13.8 ttt-85 -88.76 -29.83 19.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -106.65 -65.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 111.033 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.481 ' O ' ' C ' ' A' ' 65' ' ' CYS . 26.7 m-90 -69.51 -125.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.58 1.175 . . . . 0.0 107.933 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -36.11 150.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.435 ' CG ' ' HB3' ' A' ' 75' ' ' ASN . 1.9 m-20 -135.1 179.25 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -108.46 -56.74 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.17 -4.56 26.94 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -95.99 -10.04 29.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 0.736 . . . . 0.0 109.237 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 70' ' ' THR . 3.4 t -130.27 92.16 36.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.38 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 55.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.42 -46.35 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.65 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -57.82 -164.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 63' ' ' TYR . 3.1 p -150.25 84.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.379 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 38.7 p-10 -55.7 99.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.56 -21.85 41.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.39 -32.78 16.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.41 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.23 57.68 10.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.41 ' CG2' ' C ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER -148.86 162.24 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.03 130.4 40.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 61' ' ' SER . 1.3 m -63.4 -37.42 87.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -26.58 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.465 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -63.06 -26.4 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 84' ' ' LEU . 3.3 mt -91.89 6.95 44.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.252 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.01 24.81 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.61 -164.55 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -60.94 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.38 161.99 15.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 92' ' ' ALA . 3.5 pt -103.02 6.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -43.76 -34.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.5 -40.25 67.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -64.62 -37.72 88.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 12.7 mt -71.87 -48.99 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -55.38 -49.23 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.676 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.6 t -68.27 -44.18 76.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.415 1.072 . . . . 0.0 108.288 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -51.44 -50.02 60.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -68.63 -40.76 80.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.395 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.53 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 2.0 tpt180 -66.22 -20.57 66.16 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 95' ' ' CYS . 42.7 t -86.83 -54.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.603 HG22 HG12 ' A' ' 106' ' ' ILE . 70.2 t -58.76 -34.84 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -67.4 -15.4 63.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.527 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -83.67 179.13 2.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.527 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.91 3.8 5.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -78.02 -62.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 75.9 149.84 2.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.696 HD13 ' CZ3' ' A' ' 109' ' ' TRP . 2.6 mm -42.31 -28.59 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.218 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 105' ' ' GLY . 3.8 ttt180 -39.75 -36.3 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.367 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.8 -35.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.696 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 12.2 m-90 -96.87 65.82 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 108.028 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 113' ' ' ARG . 8.7 p -40.33 -29.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.624 ' HB1' ' CG ' ' A' ' 34' ' ' HIS . . . -43.78 -51.17 7.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.55 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -55.61 -40.61 72.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 107.983 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 110' ' ' VAL . 18.4 ttt85 -61.0 -14.47 23.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.34 33.84 4.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -150.61 -45.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.478 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.0 -54.18 4.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.307 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 56.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -148.16 -58.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.42 -169.75 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.15 101.54 14.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.895 ' O ' HD13 ' A' ' 121' ' ' LEU . 1.9 tm? -90.72 9.84 28.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -23.57 53.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -69.31 -13.69 62.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -77.42 -33.25 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.611 ' CG2' HG21 ' A' ' 29' ' ' VAL . 7.7 pt -92.7 -35.79 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.7 OUTLIER -60.19 109.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 51.9 t30 81.6 25.22 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -93.57 -34.79 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 171.72 -33.08 0.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.245 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 38' ' ' TYR . 11.5 t -90.39 128.06 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 38' ' ' TYR . 33.2 m-85 -134.69 116.25 14.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.84 169.34 8.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 -68.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -45.38 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 108.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -35.01 -66.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.345 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.452 ' CD1' HD13 ' A' ' 12' ' ' LEU . 3.7 t80 -41.85 -49.62 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.19 -56.04 27.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -50.0 -57.13 8.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.0 m -51.03 -53.8 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.705 HD21 ' CD1' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -48.85 -57.36 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -63.39 -23.53 67.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 10' ' ' ARG . 5.8 tpt180 -80.03 -25.14 40.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.1 t30 -89.14 -43.38 11.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.46 40.75 0.84 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' A' ' 20' ' ' TYR . 32.8 tpp -121.1 -37.46 2.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 0.819 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.036 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -43.16 105.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 97.6 31.5 6.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.599 1.187 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 4.4 t80 -44.22 174.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.63 -32.48 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.52 1.137 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -150.02 -43.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.657 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 27.9 t -67.11 114.69 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.87 156.19 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 0.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.036 HD22 ' HB1' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -54.86 -37.08 65.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.07 -53.73 53.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.701 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -64.31 -35.22 80.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.705 ' CD1' HD21 ' A' ' 12' ' ' LEU . 9.6 m95 -57.26 -53.63 55.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 107.982 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' GLN . 87.0 t -60.98 -54.75 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -51.15 -45.64 61.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.73 HD11 ' CD2' ' A' ' 109' ' ' TRP . 13.5 tp -60.86 -60.98 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.1 -27.64 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 38' ' ' TYR . 16.0 tp60 -69.61 -54.23 14.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.776 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 3.3 t60 -55.68 -26.32 44.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.647 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 5.5 mm-40 -80.65 -64.59 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.44 -67.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.633 ' HA ' HD11 ' A' ' 56' ' ' ILE . 18.1 t30 57.58 -164.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.635 ' CE2' ' NE2' ' A' ' 33' ' ' GLN . 33.5 m-85 62.81 -61.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -135.24 127.98 31.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 1' ' ' LYS . 53.3 p -69.68 57.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -109.4 2.75 20.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -54.25 98.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 1.007 HG22 ' CD2' ' A' ' 54' ' ' TYR . 3.0 p -148.53 123.97 10.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -150.5 100.53 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.405 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 45.4 p90 -88.8 154.21 20.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -161.34 105.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -30.92 56.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.82 -44.15 1.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -121.67 30.56 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 0.728 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' ASP . 52.3 tp60 36.66 47.42 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 p -135.07 150.6 50.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.648 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.7 m -142.84 132.43 23.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -103.31 99.34 9.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 1.007 ' CD2' HG22 ' A' ' 43' ' ' THR . 4.5 m-85 -128.0 158.82 36.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 101.61 148.15 21.04 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 37' ' ' ASN . 9.4 tt -51.64 -33.13 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . 18.3 m-85 -91.69 20.3 5.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' GLY . 2.0 tp60 39.04 66.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.5 mt -89.26 137.1 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.582 ' ND2' ' CZ3' ' A' ' 64' ' ' TRP . 1.4 p30 -81.0 132.3 35.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.408 1.068 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.1 t -90.39 14.85 11.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -19.32 26.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . 1.7 m-85 -134.53 -47.96 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.582 ' CZ3' ' ND2' ' A' ' 60' ' ' ASN . 6.2 m0 -93.57 159.66 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.664 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.7 OUTLIER 52.33 177.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -151.69 -169.49 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -129.19 -50.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.96 -0.0 10.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -145.36 35.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 70' ' ' THR . 3.2 t -132.64 83.21 54.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 53.66 3.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -150.47 -50.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.99 160.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 74' ' ' VAL . 5.2 p -120.72 49.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' VAL . 38.0 p-10 -37.38 101.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB3' ' HD1' ' A' ' 64' ' ' TRP . . . -81.91 -19.82 40.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.637 1.21 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.633 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.0 t -88.94 -32.5 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.452 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.21 50.92 54.31 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.538 1.149 . . . . 0.0 111.066 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -151.14 145.08 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -64.19 124.91 22.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.837 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -51.58 -25.72 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -33.07 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.955 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.92 43.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 81' ' ' CYS . 2.2 mt -100.35 2.41 42.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.748 HD11 HG23 ' A' ' 43' ' ' THR . 0.4 OUTLIER -115.41 20.33 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -95.33 -163.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -87.23 -50.74 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -73.4 118.4 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ALA . 18.2 pt -82.21 2.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -43.24 -40.73 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.85 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.588 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.31 -39.33 92.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.171 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 15.7 mt -73.81 -51.75 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.427 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 20.3 tt0 -55.69 -43.09 76.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.3 t -73.03 -43.41 62.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -53.22 -40.03 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 11.1 ptmt -77.87 -44.29 27.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.48 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.1 tpt85 -59.45 -26.58 65.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.491 HG13 ' CE2' ' A' ' 64' ' ' TRP . 44.1 t -89.91 -56.1 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.395 1.06 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 102' ' ' ASP . 3.3 t -52.36 -28.49 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -45.29 -23.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -67.6 176.69 1.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -74.95 -26.83 10.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -87.93 -63.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.431 ' CA ' ' HA ' ' A' ' 100' ' ' VAL . . . 46.67 -116.51 2.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.68 HG23 ' CE3' ' A' ' 112' ' ' TRP . 8.1 mm -43.64 -42.3 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.49 -32.11 3.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.93 -34.09 58.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.73 ' CD2' HD11 ' A' ' 31' ' ' LEU . 6.3 m-90 -98.82 62.73 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 108.024 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 109' ' ' TRP . 7.9 p -39.17 -35.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.776 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -39.51 -52.4 2.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.701 ' CZ2' ' HB3' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -48.29 -59.76 3.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 1.183 . . . . 0.0 107.945 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.53 -18.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 111' ' ' ALA . . . -127.39 34.5 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 16.7 t60 -150.82 -55.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.583 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -87.51 -52.26 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.22 57.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' CYS . 3.8 t30 -149.35 -50.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.42 -170.49 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -91.22 104.1 16.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.959 ' O ' HD13 ' A' ' 121' ' ' LEU . 2.1 tm? -89.3 13.45 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 t -79.38 -16.5 56.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.7 -12.64 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.203 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.64 -38.62 25.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.8 pt -88.75 -38.74 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.422 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 5.4 tpt180 -63.31 99.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER 161.71 -27.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -24.36 60.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 101.03 28.73 6.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -142.15 140.71 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.801 ' CD1' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -145.8 135.52 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.981 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.52 160.39 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.83 -65.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.525 ' O ' ' C ' ' A' ' 7' ' ' GLU . 78.3 m -45.52 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 108.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -28.92 -68.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.843 ' CE1' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -44.67 -53.49 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . -50.6 -51.73 45.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -57.57 -52.51 65.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ASN . 11.4 m -57.59 -55.56 33.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.752 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -48.82 -50.26 35.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -65.25 -31.07 72.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -76.94 -23.27 52.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.1 t-20 -88.61 -40.23 13.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.2 65.74 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.105 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.3 tpp -149.38 -42.25 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 111.082 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.946 ' HB1' HD13 ' A' ' 25' ' ' LEU . . . -55.45 118.19 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.4 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.6 26.64 41.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.598 1.186 . . . . 0.0 111.061 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 21' ' ' TYR . 27.0 t80 -48.55 178.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -36.14 -53.09 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -116.65 -57.86 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.713 HG11 ' CE2' ' A' ' 28' ' ' TRP . 5.3 t -47.2 120.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 0.768 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -90.12 141.75 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.946 HD13 ' HB1' ' A' ' 18' ' ' ALA . 14.9 tp -43.94 -43.08 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.76 97.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.641 ' OD2' HG21 ' A' ' 106' ' ' ILE . 57.2 t0 -64.3 -39.17 93.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.713 ' CE2' HG11 ' A' ' 23' ' ' VAL . 28.5 m95 -61.3 -59.61 5.02 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 25' ' ' LEU . 38.5 t -57.53 -59.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.443 ' SG ' HD22 ' A' ' 121' ' ' LEU . 13.9 t -46.78 -56.74 5.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 108.299 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.823 HD13 HD12 ' A' ' 106' ' ' ILE . 5.3 tt -47.9 -52.37 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -63.83 -24.04 67.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' VAL . 2.0 tt0 -70.89 -53.73 14.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -64.16 -24.2 67.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -75.87 -63.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -154.9 -71.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.055 . . . . 0.0 110.051 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.666 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . 3.4 t30 60.67 166.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.578 ' O ' HG22 ' A' ' 2' ' ' VAL . 1.7 m-85 64.55 -60.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 37' ' ' ASN . 9.1 m120 -112.73 146.51 38.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.53 HG22 HD11 ' A' ' 56' ' ' ILE . 1.5 p -121.89 52.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.466 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -119.01 8.32 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.09 107.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 54' ' ' TYR . 0.8 OUTLIER -143.02 130.19 20.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.0 m-80 -150.28 91.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.748 ' HA ' HG23 ' A' ' 52' ' ' THR . 34.3 p90 -88.47 155.81 19.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -159.2 104.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -78.11 -30.77 49.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.82 -36.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -135.15 33.86 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' ASP . 38.8 tp60 34.32 55.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.529 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 19.5 p -144.1 103.75 4.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.748 HG23 ' HA ' ' A' ' 45' ' ' TYR . 20.2 m -98.96 128.58 45.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.1 m-20 -110.23 106.2 15.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.699 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.6 p90 -153.5 166.15 33.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.18 152.06 9.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.53 HD11 HG22 ' A' ' 40' ' ' THR . 0.2 OUTLIER -51.23 -29.18 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -105.01 16.67 25.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 41.82 84.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.75 146.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' A' ' 52' ' ' THR . 2.7 t-20 -91.84 142.28 27.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' THR . 29.7 t -91.63 4.79 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.529 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.07 -11.28 44.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -131.4 -42.95 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.919 ' CD1' HG22 ' A' ' 99' ' ' VAL . 30.1 m-90 -108.67 166.32 10.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.814 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 57.86 160.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.345 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -145.83 -169.28 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -133.2 -56.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.48 -0.1 30.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -120.92 5.29 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 70' ' ' THR . 14.5 t -146.67 91.89 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.85 5.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.52 -50.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.57 146.31 49.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 74' ' ' VAL . 7.4 p -104.85 58.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -40.28 98.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.95 -13.71 57.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.475 ' HB3' HD12 ' A' ' 79' ' ' ILE . 3.3 t -90.53 -35.23 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.7 54.91 16.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.814 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -147.04 155.95 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.664 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 2.2 m-80 -63.36 130.7 45.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.443 ' CA ' ' OH ' ' A' ' 54' ' ' TYR . 22.0 m -55.43 -45.19 76.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -21.94 12.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -63.28 -22.6 66.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.699 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 75.0 mt -96.75 12.05 33.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.51 28.4 4.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.92 -163.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -64.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.13 155.52 38.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 8' ' ' PHE . 22.6 pt -95.73 7.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.11 -39.92 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.76 -37.92 67.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.62 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.11 -37.15 84.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 14.1 mt -75.34 -54.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 11.9 tm0? -54.9 -45.13 74.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' VAL . 7.2 t -69.41 -53.11 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -43.89 -45.1 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 1.3 pttt -74.25 -41.25 61.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.5 tpt180 -62.92 -23.58 67.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.919 HG22 ' CD1' ' A' ' 64' ' ' TRP . 39.5 t -89.0 -58.21 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.723 HG21 HG12 ' A' ' 106' ' ' ILE . 0.3 OUTLIER -53.26 -31.89 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 101' ' ' ARG . 1.0 OUTLIER -44.95 -28.25 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 110.321 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.482 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -53.3 177.54 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.04 -25.86 11.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.444 ' CG ' ' HB3' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -52.63 -92.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.462 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 125.45 163.54 11.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.823 HD12 HD13 ' A' ' 31' ' ' LEU . 2.2 mm -39.7 -29.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 105' ' ' GLY . 1.7 tmm_? -37.73 -37.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.575 ' CE3' HD13 ' A' ' 106' ' ' ILE . 24.7 m-90 -95.85 49.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 108.004 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' ARG . 9.5 p -39.46 -29.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' TRP . . . -40.64 -51.27 3.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.687 ' CE3' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.64 -47.22 82.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 108.027 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -68.46 -7.41 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.0 32.01 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.6 OUTLIER -151.76 -51.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.648 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.832 ' SG ' HD22 ' A' ' 121' ' ' LEU . 1.3 m -89.19 -55.89 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 108.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 116' ' ' CYS . 2.1 tp60 -35.3 -32.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 116' ' ' CYS . 15.7 t30 -50.93 -53.92 28.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 116' ' ' CYS . 1.0 OUTLIER -130.23 -168.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -95.51 102.75 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.832 HD22 ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -97.02 18.57 14.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.0 m -68.98 -17.95 64.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -76.27 -8.53 57.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -75.28 -27.97 59.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.722 HG21 ' HG ' ' A' ' 25' ' ' LEU . 1.7 pt -103.96 -29.0 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 1.4 tpt180 -71.6 119.74 16.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 48.4 t30 82.26 26.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -98.65 -31.21 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 114.86 36.35 1.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.317 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.0 t -125.46 130.03 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.824 ' OH ' HG21 ' A' ' 11' ' ' THR . 0.3 OUTLIER -127.53 106.28 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 5' ' ' ARG . 10.5 pt-20 -100.9 165.61 11.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.53 1.144 . . . . 0.0 110.238 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.541 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -37.52 -57.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.7 m -55.08 -80.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -33.52 -64.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.38 1.05 . . . . 0.0 110.281 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.524 ' CE2' ' CB ' ' A' ' 32' ' ' ALA . 10.2 t80 -45.03 -50.28 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -56.47 -51.78 67.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' HB2' HG22 ' A' ' 130' ' ' VAL . 29.4 ttp180 -51.48 -55.1 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.824 HG21 ' OH ' ' A' ' 3' ' ' TYR . 19.8 m -55.88 -56.39 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.437 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.46 -51.74 11.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -69.33 -26.31 64.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.5 tpt85 -74.28 -25.83 59.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -89.64 -39.93 12.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.61 43.94 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.61 -38.04 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 110.993 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.949 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -49.2 105.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 87.43 34.93 9.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.411 1.069 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 21' ' ' TYR . 44.0 t80 -48.31 179.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 0.79 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.508 ' HB2' ' CD2' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -32.0 -54.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.03 -65.11 0.27 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.616 HG11 ' CE2' ' A' ' 28' ' ' TRP . 23.3 t -40.6 129.23 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.29 156.62 18.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.949 HD13 ' CB ' ' A' ' 18' ' ' ALA . 33.8 tp -61.46 -46.3 90.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -55.78 -46.8 77.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.419 1.074 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.609 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 25.8 m-20 -66.83 -35.87 81.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.182 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.616 ' CE2' HG11 ' A' ' 23' ' ' VAL . 2.2 m95 -58.79 -50.18 74.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.637 HG21 HG22 ' A' ' 125' ' ' ILE . 6.7 t -63.0 -59.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.627 ' HB2' HD23 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -48.83 -49.75 37.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.247 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.893 HD11 ' CG ' ' A' ' 109' ' ' TRP . 25.3 tp -53.11 -54.2 39.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.524 ' CB ' ' CE2' ' A' ' 8' ' ' PHE . . . -60.52 -27.23 67.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.52 -54.37 17.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.616 1.198 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.427 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 21.2 t-80 -61.2 -22.77 65.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.1 -59.26 2.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.1 t -170.5 -65.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.555 ' HA ' HD11 ' A' ' 56' ' ' ILE . 21.0 t30 46.12 -159.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.7 m-85 58.58 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.066 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.2 m120 -108.86 140.21 42.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 1' ' ' LYS . 30.8 p -91.38 51.42 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 0.0 110.412 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -123.1 17.6 9.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.502 ' HB3' ' C ' ' A' ' 55' ' ' GLY . . . -54.93 93.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.915 HG22 ' CD2' ' A' ' 54' ' ' TYR . 3.1 p -145.76 116.24 7.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -150.58 101.25 2.93 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.416 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 25.3 p90 -87.9 160.94 17.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -159.18 103.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -72.4 -32.75 66.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.34 -34.95 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -137.16 34.71 2.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 tp60 36.37 40.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 45.1 p -122.78 151.71 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.565 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.2 m -143.82 130.83 20.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.439 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -100.9 97.28 7.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.915 ' CD2' HG22 ' A' ' 43' ' ' THR . 3.2 m-85 -125.39 160.18 30.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.502 ' C ' ' HB3' ' A' ' 42' ' ' ALA . . . 96.41 143.89 15.8 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.53 1.143 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 37' ' ' ASN . 11.9 tt -51.05 -29.75 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' GLN . 26.7 m-85 -89.71 20.32 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 37.46 64.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 mt -91.16 137.0 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.7 OUTLIER -81.67 137.45 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 52' ' ' THR . 1.5 m -91.26 4.34 52.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.489 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.61 -4.28 58.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.34 -54.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.602 ' CD1' HG22 ' A' ' 99' ' ' VAL . 11.7 m-90 -105.18 134.79 47.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 107.958 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.506 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 63.15 133.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 108.337 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.653 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -161.22 -171.03 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.653 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 6.2 t70 94.83 -10.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.5 -2.42 34.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -150.99 -68.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 13.7 t -149.99 137.26 11.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.482 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 70' ' ' THR . 18.4 Cg_endo -74.95 58.53 4.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 73' ' ' ALA . 9.4 ttt85 -110.49 -39.61 4.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.577 ' HB3' ' OD1' ' A' ' 66' ' ' ASN . . . -52.63 -174.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.24 73.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -55.33 100.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . . . -76.69 -20.29 56.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.375 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.596 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.4 t -91.63 -29.71 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.441 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.8 53.09 32.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 77' ' ' CYS . 0.1 OUTLIER -150.58 164.83 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.474 0.75 . . . . 0.0 109.307 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.39 127.9 34.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.5 ' HA ' HD12 ' A' ' 84' ' ' LEU . 77.5 m -51.98 -31.05 27.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 108.313 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 p -53.02 -36.5 60.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.43 -28.78 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 81' ' ' CYS . 0.9 OUTLIER -98.37 10.61 40.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -115.82 26.88 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -118.06 -167.29 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -78.53 -64.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -53.46 116.33 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ALA . 37.5 pt -81.76 2.57 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -43.15 -35.66 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.21 -42.0 60.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.05 -40.67 90.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 7.9 mt -72.54 -50.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 1.4 tm0? -56.28 -45.12 80.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.618 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.8 t -70.0 -42.83 72.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 108.253 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -52.75 -46.05 67.31 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -71.2 -44.91 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -62.23 -22.69 66.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 95' ' ' CYS . 39.9 t -85.65 -56.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -31.23 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -25.8 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.492 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.1 177.49 1.72 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.05 0.37 9.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -66.14 -61.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.458 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 76.16 160.06 9.48 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.581 1.176 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.749 HG21 ' CZ3' ' A' ' 112' ' ' TRP . 1.4 mm -39.64 -29.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 0.722 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -41.74 -38.37 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.221 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.4 -37.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.893 ' CG ' HD11 ' A' ' 31' ' ' LEU . 32.4 m-90 -92.12 56.19 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.047 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 109' ' ' TRP . 5.4 p -34.66 -36.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -42.04 -56.74 2.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.749 ' CZ3' HG21 ' A' ' 106' ' ' ILE . 0.9 OUTLIER -51.01 -58.32 6.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -50.03 -18.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 112' ' ' TRP . . . -129.12 34.75 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 3.7 t-80 -151.04 -54.59 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.651 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.593 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -87.37 -48.62 7.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 108.338 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -69.47 57.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' CYS . 5.7 t-20 -147.73 -54.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.09 -170.4 2.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -95.36 100.3 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 124' ' ' TYR . 6.6 tp -101.24 21.05 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.6 m -73.11 -28.25 62.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.62 -10.96 56.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.664 ' CD1' HD11 ' A' ' 121' ' ' LEU . 1.1 t80 -76.86 -27.1 54.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.637 HG22 HG21 ' A' ' 29' ' ' VAL . 1.4 pp -112.89 -33.06 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -76.33 119.28 20.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 4.2 t-20 80.23 26.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -83.99 -28.1 27.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 114.23 35.15 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.43 HG22 ' HB2' ' A' ' 10' ' ' ARG . 22.4 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.555 ' N ' ' CE2' ' A' ' 3' ' ' TYR . 33.5 mttt . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 2' ' ' VAL . 13.5 p -92.31 106.57 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.555 ' CE2' ' N ' ' A' ' 1' ' ' LYS . 47.1 m-85 -137.61 130.7 30.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 5' ' ' ARG . 15.9 pt-20 -121.23 175.65 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.267 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -32.74 -61.26 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -51.29 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.248 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -33.63 -66.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.496 ' CZ ' ' CZ ' ' A' ' 57' ' ' PHE . 0.3 OUTLIER -39.03 -50.58 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.527 ' HB2' ' CG2' ' A' ' 29' ' ' VAL . . . -60.79 -56.14 24.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -48.05 -57.22 6.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 15' ' ' ASN . 8.1 m -53.37 -52.29 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.461 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.46 -53.88 12.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -66.17 -27.74 68.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -76.5 -25.37 54.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -89.15 -42.27 11.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.5 43.01 2.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.43 ' CE ' ' CZ2' ' A' ' 28' ' ' TRP . 1.4 tmm? -111.62 -31.31 7.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 0.753 . . . . 0.0 111.061 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -67.28 150.73 48.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 85.05 12.4 74.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' GLY . 1.8 t80 -46.33 176.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.09 -56.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -119.31 -66.28 0.29 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.609 HG22 ' CD1' ' A' ' 28' ' ' TRP . 6.1 p -45.53 110.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.6 m -91.22 164.8 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.073 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.882 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 31.6 tp -49.48 -43.94 45.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.62 98.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 49.1 m-20 -62.4 -40.24 95.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CD1' HG22 ' A' ' 23' ' ' VAL . 73.8 m95 -64.98 -61.17 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.846 HG21 HG22 ' A' ' 125' ' ' ILE . 85.2 t -50.27 -58.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.861 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -51.94 -42.68 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 108.329 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.922 HD22 HD12 ' A' ' 106' ' ' ILE . 9.8 tp -59.62 -59.52 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -59.37 -22.49 61.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.4 OUTLIER -71.83 -55.87 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.91 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.1 t-80 -60.89 -24.64 66.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.569 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.5 mm-40 -72.56 -63.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.68 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 1.3 m 155.05 69.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.937 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.783 ' O ' ' HB3' ' A' ' 38' ' ' TYR . 8.3 p30 -61.74 136.28 57.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.783 ' HB3' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER 154.7 -124.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.568 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -92.63 139.56 30.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.4 p -70.74 53.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -100.68 0.46 39.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -53.53 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 1.002 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.3 p -142.39 119.91 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -150.16 97.28 2.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.684 ' HA ' HG23 ' A' ' 52' ' ' THR . 50.1 p90 -87.99 160.46 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' SER . 78.5 m-20 -162.05 105.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -34.95 63.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -39.77 -40.04 1.48 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -119.97 31.17 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' ASP . 16.1 pt20 31.87 47.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.496 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 54.1 m -142.25 154.3 44.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.76 HG22 ' CD1' ' A' ' 54' ' ' TYR . 6.2 m -142.07 132.02 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.46 96.35 7.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 1.002 ' CD2' HG22 ' A' ' 43' ' ' THR . 3.9 m-85 -125.33 159.33 32.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.599 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 103.69 151.56 22.4 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 tt -54.27 -38.11 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.496 ' CZ ' ' CZ ' ' A' ' 8' ' ' PHE . 19.1 m-85 -89.21 23.65 2.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 38.8 67.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.7 mt -93.01 138.76 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.8 OUTLIER -79.6 128.0 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 10.4 m -88.05 15.19 7.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 110.016 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.496 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.24 -11.28 44.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.6 t80 -139.76 -47.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.592 1.183 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.443 ' CD1' HG22 ' A' ' 99' ' ' VAL . 8.3 m-90 -93.75 143.95 25.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 108.01 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 58.17 160.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 1.4 m-20 -146.36 -172.27 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -138.07 -55.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.05 -3.11 14.41 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.73 -19.98 22.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.753 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 70' ' ' THR . 1.4 t -124.82 94.76 43.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 57.94 4.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.18 -45.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.83 176.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 74' ' ' VAL . 2.6 p -142.86 64.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 9.2 p-10 -40.3 99.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' TYR . . . -75.49 -20.76 58.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.424 ' SG ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -89.27 -26.11 21.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.28 45.44 96.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.424 HD13 ' SG ' ' A' ' 77' ' ' CYS . 0.0 OUTLIER -138.17 153.56 26.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 83' ' ' ALA . 11.0 p-10 -69.16 119.02 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.766 ' HA ' HD12 ' A' ' 84' ' ' LEU . 33.2 m -46.83 -28.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.317 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -37.41 71.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 80' ' ' ASN . . . -57.85 -20.98 40.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.766 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.4 mt -94.15 6.53 48.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.683 HD11 HG23 ' A' ' 43' ' ' THR . 0.1 OUTLIER -136.74 34.75 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -113.22 -157.32 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 110.376 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -59.11 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -71.88 118.52 14.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 92' ' ' ALA . 15.4 pt -81.1 1.79 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.4 t -40.96 -36.84 0.71 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.575 1.172 . . . . 0.0 110.448 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.59 -43.77 53.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.641 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.02 -37.86 80.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.474 HD11 HD11 ' A' ' 89' ' ' ILE . 10.6 mt -73.76 -52.15 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.465 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 1.5 tt0 -57.29 -45.9 83.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.9 t -68.64 -45.43 71.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 108.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.36 -51.33 35.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 7.9 pttt -69.86 -40.49 75.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.503 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 18.6 ttt180 -62.83 -22.34 66.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 24.1 t -88.81 -57.63 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.446 HG22 ' HZ3' ' A' ' 109' ' ' TRP . 77.4 t -58.72 -24.76 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 101' ' ' ARG . 5.0 mtp-105 -60.53 -13.15 12.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -61.25 169.77 2.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 49.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.31 -86.6 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 107' ' ' ARG . . . 127.11 168.05 12.45 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.922 HD12 HD22 ' A' ' 31' ' ' LEU . 2.4 mm -39.91 -29.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 106' ' ' ILE . 3.9 tmt_? -33.77 -36.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 106' ' ' ILE . . . -40.24 -37.09 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.492 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 24.1 m-90 -96.14 65.58 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.026 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 113' ' ' ARG . 73.7 t -40.1 -30.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.91 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -45.27 -49.52 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.486 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -57.49 -39.0 75.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 108.051 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.486 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 32.2 ttt-85 -61.7 -15.31 39.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.85 31.49 5.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.52 -46.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.447 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.78 -53.39 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -71.24 56.98 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -146.84 -60.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 -169.91 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -93.17 101.32 13.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.861 HD22 ' HB3' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -96.3 15.19 21.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.21 -24.88 61.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -69.65 -13.21 62.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.528 ' CE2' ' HG3' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -77.55 -30.82 52.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.846 HG22 HG21 ' A' ' 29' ' ' VAL . 23.2 pt -89.7 -41.19 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -72.62 101.26 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.0 OUTLIER 160.67 -25.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.381 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -25.81 62.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.62 30.82 3.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.368 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 52.0 t -103.93 134.77 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.85 ' CE1' ' CG ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -151.73 139.5 19.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 5' ' ' ARG . 12.4 pt-20 -111.66 160.78 16.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -35.26 -59.15 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 7' ' ' GLU . 79.7 m -50.35 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.6 mm-40 -30.67 -66.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.359 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.85 ' CG ' ' CE1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -44.36 -53.68 6.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.69 51.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -54.46 -59.15 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 15' ' ' ASN . 20.1 m -52.04 -55.22 22.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.098 . . . . 0.0 110.362 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -54.08 10.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -64.51 -27.47 68.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -78.47 -22.42 47.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 11' ' ' THR . 7.7 t30 -88.95 -40.39 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.54 38.76 1.06 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.543 ' HE2' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -120.17 -35.49 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.851 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -52.1 102.24 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 90.29 34.98 7.72 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.543 ' CD1' ' HE2' ' A' ' 17' ' ' MET . 25.9 t80 -47.49 177.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.35 -59.33 0.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.401 1.063 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.44 -63.72 0.49 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.784 HG11 ' CE2' ' A' ' 28' ' ' TRP . 12.6 t -45.58 125.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 t -90.25 144.09 26.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.165 . . . . 0.0 110.014 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.851 HD13 ' CB ' ' A' ' 18' ' ' ALA . 15.9 tp -45.85 -44.53 14.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.33 89.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 61.2 m-20 -64.7 -37.78 88.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.784 ' CE2' HG11 ' A' ' 23' ' ' VAL . 25.3 m95 -63.94 -60.31 3.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' GLN . 17.3 t -52.4 -60.33 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.962 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -48.98 -45.46 42.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.338 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.615 HD22 ' CD1' ' A' ' 106' ' ' ILE . 18.5 tp -58.13 -66.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.704 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.34 -27.5 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' HA ' ' HB2' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -68.74 -52.77 27.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -73.11 -20.21 60.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.59 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' A' ' 109' ' ' TRP . 4.2 mm-40 -73.59 -61.91 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.427 ' OG ' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -153.75 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.598 ' OD1' ' CE1' ' A' ' 3' ' ' TYR . 14.4 t-20 71.63 170.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 3' ' ' TYR . 55.3 m-85 60.57 -115.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 1' ' ' LYS . 0.3 OUTLIER -87.18 131.5 34.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 1.008 HG22 HD13 ' A' ' 56' ' ' ILE . 17.8 p -82.77 60.77 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' THR . 2.3 ttt-85 -92.29 -5.23 52.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.427 ' HB2' ' OG ' ' A' ' 36' ' ' SER . . . -50.42 93.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 54' ' ' TYR . 11.6 p -139.84 135.75 33.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.13 99.02 2.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.409 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 39.3 p90 -88.94 149.32 23.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 51' ' ' SER . 79.0 m-20 -161.39 100.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -77.72 -30.34 51.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 110.388 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.94 -33.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.3 t0 -135.49 33.39 3.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 0.757 . . . . 0.0 109.377 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER 35.53 51.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.53 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 50.0 p -138.54 147.82 43.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 60' ' ' ASN . 1.2 m -139.82 133.22 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.88 101.59 10.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.668 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -153.55 166.01 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 110.987 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.59 159.18 10.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.564 1.165 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.008 HD13 HG22 ' A' ' 40' ' ' THR . 10.7 tp -51.97 -35.79 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.659 ' CD2' HG23 ' A' ' 56' ' ' ILE . 63.1 m-85 -109.69 26.35 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 42.09 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.1 mt -118.44 152.05 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.7 OUTLIER -88.52 133.58 34.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.412 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 27.5 t -90.54 6.17 44.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.954 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.53 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 36.9 ttt-85 -88.82 -14.85 36.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.45 -39.52 1.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.868 ' CZ3' ' HB3' ' A' ' 76' ' ' ALA . 88.6 m95 -106.5 158.68 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.557 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 58.8 158.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 108.282 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.487 ' HB2' ' CB ' ' A' ' 75' ' ' ASN . 10.9 t30 -135.92 -170.99 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 27.5 t0 -132.16 -46.39 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.11 -2.54 55.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -120.69 -1.03 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.583 0.813 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -128.2 90.16 47.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.423 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.72 4.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.778 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.62 -59.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.81 161.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 74' ' ' VAL . 7.6 p -120.1 62.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 5.3 p-10 -49.06 101.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.868 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -86.69 -10.6 53.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.0 t -89.31 -38.48 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.01 57.69 7.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -147.75 165.26 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.578 0.811 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.448 ' N ' HG12 ' A' ' 79' ' ' ILE . 11.4 m-80 -74.3 121.04 20.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.441 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 8.3 m -49.83 -37.89 32.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 108.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -54.59 -22.68 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.06 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -64.3 -14.74 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.668 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 20.8 mt -101.27 12.51 37.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.62 13.24 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -96.88 -170.53 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -84.25 -72.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -47.37 133.23 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.453 HD12 ' CE1' ' A' ' 8' ' ' PHE . 16.0 pt -92.58 0.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.3 t -45.24 -40.77 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.439 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -69.56 -37.71 77.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.635 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -63.58 -39.32 94.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 32.6 mt -70.75 -51.72 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -54.69 -49.49 70.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.5 OUTLIER -67.39 -40.95 85.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.886 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -51.26 -50.03 60.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 94' ' ' GLN . 2.8 pttt -69.04 -45.66 69.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.434 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 7.5 ttt85 -60.3 -22.67 63.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 7.8 t -85.66 -56.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 96' ' ' ALA . 13.4 t -58.1 -25.18 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -20.31 22.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.5 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -71.9 177.17 1.8 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.4 Cg_endo -75.0 0.43 8.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.25 -61.5 1.89 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 106' ' ' ILE . . . 80.38 152.57 8.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.615 ' CD1' HD22 ' A' ' 31' ' ' LEU . 1.3 mm -40.07 -34.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.54 -37.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.07 -36.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.408 ' C ' ' N ' ' A' ' 111' ' ' ALA . 21.6 m-90 -95.47 62.69 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 113' ' ' ARG . 36.4 t -41.63 -28.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -46.86 -50.31 18.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -36.28 69.47 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -68.16 -14.63 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.02 31.02 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.83 -44.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 109.615 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -54.87 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 108.353 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -17.76 7.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -57.61 -67.25 0.35 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -136.98 -158.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -91.34 105.62 17.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.962 HD12 ' HB3' ' A' ' 30' ' ' CYS . 1.2 tm? -97.46 17.07 18.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.7 t -75.59 -28.69 59.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -63.02 -12.51 26.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -76.28 -30.0 57.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 128' ' ' CYS . 7.7 pt -95.16 -35.22 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 7.5 tpm_? -74.2 122.07 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 8.0 t-20 78.86 24.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -88.07 -28.6 21.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.311 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 109.35 36.11 2.17 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.552 1.157 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.325 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.451 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 68.1 t -112.49 105.23 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 1.091 ' CZ ' HG22 ' A' ' 89' ' ' ILE . 7.2 m-30 -105.62 100.61 10.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.41 ' HG2' ' HB2' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -94.15 152.59 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.421 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 11.3 ptt-85 -46.11 -58.82 3.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -46.57 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -33.09 -65.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.636 ' CE1' ' CD1' ' A' ' 12' ' ' LEU . 32.5 t80 -45.66 -52.5 10.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.67 -52.44 63.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -51.2 -64.39 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.536 ' O ' ' N ' ' A' ' 15' ' ' ASN . 18.1 m -46.11 -52.94 11.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.636 ' CD1' ' CE1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -48.31 -60.31 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -59.37 -24.86 63.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -84.12 -19.95 33.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 11' ' ' THR . 3.7 t-20 -88.92 -41.99 12.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.81 33.05 1.61 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.48 ' HE1' ' CE1' ' A' ' 20' ' ' TYR . 11.0 mmt -116.59 -36.19 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.023 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -52.16 111.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.44 34.37 14.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CE1' ' HE1' ' A' ' 17' ' ' MET . 2.4 t80 -53.73 -172.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 0.813 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -36.23 -31.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -155.11 -62.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.933 HG11 HG13 ' A' ' 106' ' ' ILE . 6.2 m -51.87 107.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.205 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.1 m -90.87 170.07 10.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 110.045 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.023 ' CD2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -50.26 -29.73 10.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.32 -52.51 61.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.624 ' HA ' ' CZ3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -64.74 -34.78 79.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CZ3' HD11 ' A' ' 106' ' ' ILE . 91.6 m95 -68.46 -60.82 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.002 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 25' ' ' LEU . 94.1 t -55.16 -55.45 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.532 ' HB2' HD22 ' A' ' 121' ' ' LEU . 18.0 t -50.01 -55.7 13.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 108.324 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.966 HD11 ' CD2' ' A' ' 109' ' ' TRP . 2.8 tt -48.43 -46.86 38.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -65.62 -29.53 70.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -68.13 -52.15 37.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.242 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.998 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.1 t-80 -59.23 -25.81 64.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.5 -60.49 2.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' ASN . 25.2 t -175.69 -50.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 39' ' ' ASN . 6.9 t30 47.87 -173.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' TYR . 3.0 m-85 62.38 -59.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.4 m120 -122.95 142.95 50.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.658 HG21 ' CE1' ' A' ' 3' ' ' TYR . 1.2 p -101.95 16.15 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.3 tpm_? -60.59 -14.91 22.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.02 96.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.433 ' HA ' ' HB3' ' A' ' 54' ' ' TYR . 12.0 p -141.41 133.58 27.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -150.47 97.03 2.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.631 ' HA ' HG23 ' A' ' 52' ' ' THR . 11.0 p90 -89.45 158.18 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -161.82 104.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.3 OUTLIER -75.11 -30.8 60.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.25 -36.79 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.409 1.068 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -141.51 32.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ASP . 20.4 tp60 35.58 61.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.524 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 76.9 p -141.11 111.98 7.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.631 HG23 ' HA ' ' A' ' 45' ' ' TYR . 88.2 m -108.98 129.75 55.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -113.21 113.09 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.693 ' HE1' HD13 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -152.66 169.31 23.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.56 152.36 10.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.749 HG23 ' HD1' ' A' ' 57' ' ' PHE . 13.1 tt -54.29 -33.06 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.749 ' HD1' HG23 ' A' ' 56' ' ' ILE . 4.1 m-85 -95.99 10.18 38.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 47.03 84.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 52.5 mt -113.87 147.82 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.183 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' OD1' ' CG ' ' A' ' 53' ' ' ASP . 1.4 m120 -91.43 139.15 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 52' ' ' THR . 3.0 t -92.3 2.64 56.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.524 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -87.51 -15.3 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -122.13 -32.94 3.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.793 ' CD1' HG22 ' A' ' 99' ' ' VAL . 32.6 m-90 -120.05 167.19 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.773 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 59.46 156.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.46 ' HB2' ' CB ' ' A' ' 75' ' ' ASN . 1.8 t-20 -143.34 -164.21 1.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 16.8 t0 -144.59 -54.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.5 -0.2 26.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.439 1.087 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -115.85 -6.19 12.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -124.42 95.13 43.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 57.1 4.5 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.17 -65.66 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.34 134.86 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.368 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 74' ' ' VAL . 11.9 p -98.27 62.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.46 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 14.3 p-10 -48.56 94.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.68 -10.84 59.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.509 ' HB3' HD12 ' A' ' 79' ' ' ILE . 5.0 t -89.82 -40.04 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 108.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 69.3 58.87 6.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.773 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -149.87 170.46 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 0.794 . . . . 0.0 109.285 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.516 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 9.9 m-80 -75.88 123.01 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.534 ' HA ' HD12 ' A' ' 84' ' ' LEU . 57.1 m -52.14 -37.56 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 108.391 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -26.63 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -60.19 -17.42 41.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.693 HD13 ' HE1' ' A' ' 54' ' ' TYR . 1.1 mp -99.13 15.94 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 85' ' ' LEU . 12.0 tp -137.36 21.64 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -104.64 -167.15 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.81 -75.25 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.618 ' HB2' HG22 ' A' ' 90' ' ' THR . 0.2 OUTLIER -41.14 122.93 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.091 HG22 ' CZ ' ' A' ' 3' ' ' TYR . 5.7 pt -79.08 -2.72 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.618 HG22 ' HB2' ' A' ' 88' ' ' ASP . 9.6 t -44.61 -36.06 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.48 -38.73 65.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.543 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -63.32 -38.43 91.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.447 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 12.4 mt -73.35 -51.56 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 41.9 tt0 -52.51 -46.72 66.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.75 -48.18 55.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.3 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -48.23 -43.92 32.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 15.6 ptpt -75.31 -41.22 57.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.509 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -61.97 -23.99 66.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.793 HG22 ' CD1' ' A' ' 64' ' ' TRP . 41.1 t -90.13 -57.39 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.0 t -56.17 -26.05 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -19.73 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.497 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -74.27 177.55 2.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -74.92 1.82 7.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.57 -64.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.16 158.98 30.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.933 HG13 HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -47.5 -24.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 110' ' ' VAL . 2.8 ttp180 -42.22 -33.59 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.03 -32.7 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.966 ' CD2' HD11 ' A' ' 31' ' ' LEU . 13.9 m-90 -96.55 47.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 107' ' ' ARG . 24.9 t -40.11 -28.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.118 . . . . 0.0 109.384 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.998 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -41.49 -51.22 3.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.675 ' CE3' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.93 -42.96 85.93 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -68.15 -8.53 39.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.89 33.22 4.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.5 OUTLIER -153.25 -51.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.947 ' SG ' HD22 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -88.92 -47.18 8.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.26 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.27 61.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.677 ' N ' ' O ' ' A' ' 116' ' ' CYS . 2.6 t-20 -155.45 -44.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 -169.58 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.49 101.33 12.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.947 HD22 ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -98.17 18.36 16.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 m -72.93 -18.11 61.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -76.79 -10.25 59.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -30.04 59.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.636 ' CD1' HD12 ' A' ' 25' ' ' LEU . 8.9 pt -98.77 -43.07 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.419 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -61.15 104.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.8 OUTLIER 162.42 -27.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -25.08 61.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.89 31.37 2.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.566 0.803 . . . . 0.0 109.375 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.583 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 9.2 t -129.15 133.8 65.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 38.9 m-85 -160.22 116.25 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 5' ' ' ARG . 2.3 pm0 -96.52 170.24 9.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' HA ' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -34.8 -58.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 7' ' ' GLU . 71.8 m -51.87 -78.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 6' ' ' CYS . 4.1 mt-10 -32.39 -65.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.596 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -41.84 -54.96 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 111.069 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -53.5 -53.59 49.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -51.52 -57.47 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.5 m -54.42 -53.2 57.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.426 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -47.01 -52.07 15.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -66.52 -29.99 70.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -74.09 -25.05 59.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.4 -39.39 13.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.17 45.59 0.74 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.8 tpp -125.1 -39.18 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.745 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -50.27 109.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.65 34.69 27.47 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.061 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' TYR . 7.3 t80 -50.38 -176.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -34.53 -49.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.18 -61.8 0.14 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.763 HG11 ' CE2' ' A' ' 28' ' ' TRP . 46.4 t -41.11 127.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.597 0.822 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.21 154.06 20.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.745 HD13 ' CB ' ' A' ' 18' ' ' ALA . 26.5 tp -59.79 -45.75 91.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -56.35 -45.17 80.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 46.1 m-20 -68.33 -33.58 74.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.763 ' CE2' HG11 ' A' ' 23' ' ' VAL . 2.5 m95 -60.87 -55.04 37.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 107.959 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 9' ' ' ALA . 16.5 t -60.14 -53.37 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 109.372 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.499 ' HB2' HD22 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -53.12 -47.96 68.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' CD1' ' CD1' ' A' ' 106' ' ' ILE . 5.8 tt -53.94 -52.32 60.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.98 -26.2 68.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.456 ' NE2' ' CE2' ' A' ' 38' ' ' TYR . 42.9 tp60 -69.04 -53.59 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -62.09 -28.01 69.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -74.07 -56.27 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.07 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.94 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 8' ' ' PHE . 2.2 t30 53.89 -164.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.43 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.5 ' N ' ' O ' ' A' ' 3' ' ' TYR . 22.8 m-85 56.77 -113.76 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -88.43 137.63 32.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 1' ' ' LYS . 10.9 p -84.83 54.63 3.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.37 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.678 ' O ' HG23 ' A' ' 43' ' ' THR . 0.4 OUTLIER -98.62 -44.59 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.219 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.505 ' CB ' ' HA3' ' A' ' 55' ' ' GLY . . . -39.54 102.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 41' ' ' ARG . 3.4 p -133.73 139.34 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ASP . 1.6 t-20 -128.76 88.64 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.425 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 1.0 OUTLIER -94.02 159.42 15.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -161.68 104.34 1.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -77.72 -32.91 53.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -44.06 -46.73 8.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -115.27 24.81 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.336 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' ASP . 1.5 tp-100 36.42 61.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.486 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 72.8 m -148.32 147.3 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.431 ' CG2' ' N ' ' A' ' 53' ' ' ASP . 1.7 m -136.56 166.75 22.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -142.63 126.11 16.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.846 ' CE2' HD13 ' A' ' 84' ' ' LEU . 64.0 m-85 -88.07 116.48 26.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.577 ' O ' ' N ' ' A' ' 57' ' ' PHE . . . -60.32 -49.49 78.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.568 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.8 tp -26.99 -41.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -148.09 29.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.622 ' N ' ' O ' ' A' ' 54' ' ' TYR . 30.8 tp60 37.25 53.06 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' TYR . 37.8 mt -101.37 134.37 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -77.26 128.98 35.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -90.84 4.3 52.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 110.048 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.23 -27.08 22.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -112.06 -31.84 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 29.1 m-90 -109.87 152.99 25.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.583 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.79 143.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.291 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.471 ' CG ' ' N ' ' A' ' 67' ' ' ASP . 11.8 t30 -80.28 -95.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 9.9 t0 173.45 -46.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.96 2.49 80.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -137.8 -46.73 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.753 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.534 HG22 ' HB2' ' A' ' 72' ' ' ARG . 2.7 m -106.47 103.49 46.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 55.29 3.96 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.534 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -120.98 -54.48 2.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.62 138.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.3 p -90.69 62.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 27.2 p-10 -38.96 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -90.08 -15.09 32.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.148 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.639 ' HB3' HD12 ' A' ' 79' ' ' ILE . 8.5 t -89.98 -26.0 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.445 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 68.56 55.86 11.07 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.474 1.109 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -150.86 163.09 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 0.772 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.605 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 7.0 m-80 -76.59 126.64 31.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.419 ' HA ' HD12 ' A' ' 84' ' ' LEU . 18.9 m -50.85 -44.2 59.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 108.266 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 0.6 OUTLIER -54.04 -26.53 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.064 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -62.38 -15.42 48.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.846 HD13 ' CE2' ' A' ' 54' ' ' TYR . 1.3 mt -105.34 14.84 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tp -137.32 28.56 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 82' ' ' SER . 4.1 mt-30 -109.84 -155.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -91.0 -73.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -51.65 142.13 15.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ALA . 6.0 pt -98.38 5.21 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 t -42.92 -36.13 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.11 -42.6 65.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -60.23 -40.55 90.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.5 mt -70.49 -50.08 48.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 10.4 tt0 -55.73 -46.05 77.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.797 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -69.02 -40.47 78.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 108.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -54.23 -47.46 72.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 16.4 pttt -70.39 -44.06 68.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.444 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 4.0 tpt180 -63.55 -23.11 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.347 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 95' ' ' CYS . 52.6 t -84.13 -58.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -29.59 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -54.41 -24.16 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -72.05 178.32 1.38 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.0 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.584 1.834 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.41 ' O ' ' NH1' ' A' ' 107' ' ' ARG . 9.0 mm-40 -68.78 -61.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.453 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 79.73 162.63 25.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.63 HG13 HG22 ' A' ' 23' ' ' VAL . 1.3 mm -40.92 -28.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.453 ' N ' ' C ' ' A' ' 105' ' ' GLY . 6.8 ttp-105 -40.48 -38.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.66 -38.51 2.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 110' ' ' VAL . 30.7 m-90 -93.31 50.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.014 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 109' ' ' TRP . 11.7 p -34.53 -36.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -42.27 -57.1 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.644 ' C ' ' CD1' ' A' ' 112' ' ' TRP . 0.7 OUTLIER -52.62 -56.97 11.61 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -46.08 -20.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 112' ' ' TRP . . . -130.77 37.08 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 11.5 t60 -151.65 -51.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.613 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.639 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.02 -50.08 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 108.285 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -68.58 58.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 116' ' ' CYS . 9.4 t-20 -145.25 -52.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -129.35 -171.7 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.203 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.97 100.52 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 30' ' ' CYS . 1.4 tp -103.75 22.25 14.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.01 -24.54 60.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.059 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.79 -11.86 59.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -75.68 -31.4 59.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.485 HG22 HG21 ' A' ' 29' ' ' VAL . 1.9 pt -100.73 -30.63 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -77.7 125.57 29.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.369 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 5.1 t-20 75.87 24.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -83.05 -34.31 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 108.235 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.71 35.43 1.27 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.641 HG13 ' C ' ' A' ' 38' ' ' TYR . 41.3 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' TYR . 14.6 m-85 -140.84 131.66 25.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' ARG . 9.2 pt-20 -118.03 165.98 13.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -36.03 -66.32 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -48.09 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.319 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -33.73 -67.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.984 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -41.6 -50.91 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -56.03 -55.23 35.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -51.0 -57.93 7.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.3 m -51.27 -55.66 17.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.777 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -46.72 -54.16 10.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -64.93 -26.24 68.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.0 tpt85 -78.89 -23.37 44.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.4 t-20 -89.42 -40.43 12.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.83 41.34 1.45 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.75 -38.49 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.859 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -52.04 109.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 102.15 21.71 10.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' TYR . 4.4 t80 -43.31 168.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -34.95 -48.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.61 -56.71 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.769 HG11 ' CE2' ' A' ' 28' ' ' TRP . 5.5 t -53.34 116.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -90.41 145.06 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.043 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.859 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 12.1 tp -43.19 -47.93 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.69 85.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 48.2 m-20 -64.21 -37.45 87.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.769 ' CE2' HG11 ' A' ' 23' ' ' VAL . 24.6 m95 -63.69 -57.15 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 107.983 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.668 HG21 HG22 ' A' ' 125' ' ' ILE . 39.6 t -52.03 -62.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -46.98 -47.13 21.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 106' ' ' ILE . 5.4 tt -59.83 -67.52 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.098 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.984 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -43.73 -29.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -72.18 -52.91 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.756 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 5.1 t-80 -61.12 -22.23 64.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.536 ' OE1' ' CD1' ' A' ' 109' ' ' TRP . 15.0 mm-40 -74.68 -65.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 158.29 62.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.553 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 8.1 t-20 -58.7 -150.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.641 ' C ' HG13 ' A' ' 2' ' ' VAL . 25.0 m-85 72.66 -125.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.063 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' ARG . 2.7 p30 -84.74 142.32 29.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 p -70.03 58.55 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 39' ' ' ASN . 4.0 tpt180 -113.79 4.65 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.16 91.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 1.039 HG22 ' CD2' ' A' ' 54' ' ' TYR . 1.9 p -142.38 122.28 13.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.39 99.56 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.715 ' HA ' HG23 ' A' ' 52' ' ' THR . 1.1 p90 -89.36 159.5 17.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 51' ' ' SER . 29.1 m120 -162.77 104.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' GLY . 5.2 ttt85 -75.58 -32.9 60.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -37.59 -41.33 0.82 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -122.93 30.93 6.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ASP . 1.9 tt0 35.14 47.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 79.8 p -138.51 149.54 45.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.76 HG22 ' CD1' ' A' ' 54' ' ' TYR . 7.6 m -141.57 131.83 24.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -101.02 98.91 9.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 1.039 ' CD2' HG22 ' A' ' 43' ' ' THR . 4.5 m-85 -127.02 157.65 39.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' GLN . . . 101.8 143.61 13.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.442 HD11 ' OD1' ' A' ' 37' ' ' ASN . 13.8 tt -50.61 -32.82 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.442 ' CZ ' ' CZ ' ' A' ' 8' ' ' PHE . 14.6 m-85 -89.94 22.46 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 37.51 69.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.8 mt -96.14 134.53 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.242 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -80.31 132.72 35.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -89.84 10.85 22.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.506 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -88.08 -2.29 58.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -151.98 -44.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.525 ' NE1' HG13 ' A' ' 99' ' ' VAL . 5.2 m-90 -96.29 156.33 16.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.759 ' HA ' HD13 ' A' ' 79' ' ' ILE . 1.4 p 52.42 176.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.54 -169.3 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -150.37 -51.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.14 -0.77 22.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -14.73 26.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -125.8 94.99 40.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 58.98 5.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.96 -45.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.83 159.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' VAL . 6.3 p -122.08 54.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' VAL . 17.9 p-10 -39.32 100.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -79.99 -18.05 51.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.668 ' HB3' HD12 ' A' ' 79' ' ' ILE . 1.8 t -89.49 -32.79 17.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.438 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.51 53.66 30.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.759 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -150.92 163.23 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -75.23 124.03 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.605 ' HA ' HD12 ' A' ' 84' ' ' LEU . 52.3 m -50.21 -32.66 17.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.6 t -58.17 -32.38 68.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.17 -18.25 24.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.1 mt -99.98 11.2 39.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.918 HD11 ' CG2' ' A' ' 43' ' ' THR . 0.0 OUTLIER -124.59 20.68 8.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -90.74 -162.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.36 -51.13 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -76.98 132.49 39.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 92' ' ' ALA . 9.1 pt -85.1 2.73 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.66 -37.44 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.18 63.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.638 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.29 -40.09 95.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.28 -50.88 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.46 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -56.46 -47.3 79.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.539 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.8 t -68.61 -45.22 72.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.09 -48.81 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -70.59 -42.49 70.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.504 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 7.7 tpt180 -61.64 -22.35 65.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 95' ' ' CYS . 51.7 t -88.25 -57.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.7 t -56.89 -26.97 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -53.4 -19.22 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.473 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -79.29 176.69 3.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.4 Cg_endo -74.96 1.53 7.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.534 1.807 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -69.79 -63.86 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.25 163.33 28.15 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.836 HD12 HD13 ' A' ' 31' ' ' LEU . 3.9 mm -39.68 -31.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 0.735 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 105' ' ' GLY . 9.7 tpt180 -38.46 -38.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.0 -36.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.593 ' CE3' HD11 ' A' ' 31' ' ' LEU . 24.4 m-90 -94.16 60.26 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 107.964 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 113' ' ' ARG . 15.0 p -42.64 -27.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.756 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -48.09 -49.72 30.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.493 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.12 -30.36 64.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 107.968 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.491 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -69.43 -15.26 63.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.79 31.13 5.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.143 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.73 -44.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -88.72 -55.68 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 55.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -141.57 -57.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.64 -170.19 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -85.7 101.55 12.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.806 HD13 ' O ' ' A' ' 121' ' ' LEU . 1.2 tm? -90.1 9.71 27.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 m -75.74 -25.41 56.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.963 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.4 -15.85 63.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -38.06 33.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.668 HG22 HG21 ' A' ' 29' ' ' VAL . 3.3 pt -90.34 -32.72 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 2.0 ttm180 -70.02 99.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.4 m-20 161.27 -26.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -24.57 60.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 105.59 31.39 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 38' ' ' TYR . 60.4 t . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 38' ' ' TYR . 2.4 m-85 -156.07 117.53 3.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -106.97 171.63 7.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -43.77 -55.05 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 7' ' ' GLU . 1.1 m -55.38 -76.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 108.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 6' ' ' CYS . 6.6 mm-40 -36.09 -65.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 32' ' ' ALA . 45.7 t80 -45.66 -48.85 14.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.27 59.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -53.35 -56.03 20.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' ASN . 7.3 m -52.4 -55.03 24.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -49.02 -50.48 35.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -65.11 -28.96 69.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -78.57 -24.32 45.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -89.52 -40.05 12.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.82 46.52 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.35 -39.37 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.565 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -52.14 110.54 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.05 28.02 35.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' TYR . 53.8 t80 -48.6 177.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' TYR . 1.4 m-85 -35.37 -54.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.37 -61.42 0.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.611 1.195 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.6 t -47.73 119.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -88.76 146.1 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.565 HD13 ' CB ' ' A' ' 18' ' ' ALA . 9.9 tp -42.8 -49.39 5.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HA ' HG21 ' A' ' 125' ' ' ILE . . . -58.54 -41.52 85.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' SER . 19.0 m-20 -63.51 -36.49 83.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.707 ' CE2' HG11 ' A' ' 23' ' ' VAL . 24.5 m95 -65.69 -57.46 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.011 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.746 HG21 HG22 ' A' ' 125' ' ' ILE . 41.3 t -55.55 -58.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.874 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -48.53 -47.13 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 108.347 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.739 HD13 ' C ' ' A' ' 31' ' ' LEU . 1.6 tm? -58.2 -56.35 23.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . . . -58.74 -23.0 59.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tt0 -75.29 -53.95 7.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.812 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 13.1 t-80 -57.96 -27.0 63.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.655 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.1 mm-40 -74.34 -61.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 159.39 60.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.753 ' HA ' HD11 ' A' ' 56' ' ' ILE . 38.0 p-10 -57.64 -158.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.799 ' O ' HG13 ' A' ' 2' ' ' VAL . 23.6 m-85 67.19 -58.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' ASN . 16.0 t-20 -121.58 155.54 34.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 t -133.91 40.56 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -105.77 4.11 29.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 54' ' ' TYR . . . -43.34 114.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -145.39 128.58 16.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.2 m-20 -147.41 97.14 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.424 ' OH ' ' CD1' ' A' ' 85' ' ' LEU . 23.0 m-85 -89.53 151.39 21.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' SER . 20.5 m120 -162.13 104.63 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.22 -32.55 29.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.45 -43.89 1.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' GLN . 25.0 t0 -121.18 31.06 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' ASP . 9.1 tp-100 34.09 56.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' ASN . 28.3 p -143.48 151.38 40.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.472 HG22 ' CD2' ' A' ' 54' ' ' TYR . 1.5 m -145.97 156.24 43.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 0.0 110.456 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ASN . 71.6 m-20 -140.07 117.69 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.606 ' HE1' HD13 ' A' ' 84' ' ' LEU . 2.0 p90 -150.91 168.3 24.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.25 146.7 18.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.788 HG23 ' HD1' ' A' ' 57' ' ' PHE . 18.7 tt -52.49 -30.61 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.788 ' HD1' HG23 ' A' ' 56' ' ' ILE . 5.3 m-85 -92.03 17.88 8.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER 37.83 74.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -100.38 140.4 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.458 ' ND2' ' CE3' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -90.01 137.0 32.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.417 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 1.1 t -92.28 11.46 25.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -33.18 19.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.544 ' HA ' HG13 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -115.26 -22.11 9.58 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.458 ' CE3' ' ND2' ' A' ' 60' ' ' ASN . 3.1 m-90 -114.05 167.88 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 107.975 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.753 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 59.33 159.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 108.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -127.79 -178.42 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -157.04 -47.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.67 -0.77 89.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -97.63 -13.53 21.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 70' ' ' THR . 3.2 t -131.0 107.53 15.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 61.82 5.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.33 -53.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.312 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.03 156.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.621 ' O ' HG22 ' A' ' 74' ' ' VAL . 2.4 p -129.61 60.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' ASN . 23.6 p-10 -39.93 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -90.4 -14.03 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.574 ' HB3' HD12 ' A' ' 79' ' ' ILE . 7.8 t -89.56 -32.38 17.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.45 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 71.93 55.05 7.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.753 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -150.99 155.86 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.412 0.713 . . . . 0.0 109.267 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -72.3 127.18 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.533 ' HA ' HD12 ' A' ' 84' ' ' LEU . 70.3 m -48.16 -37.87 16.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.3 p -56.48 -34.24 66.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -58.43 -24.28 59.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 79' ' ' ILE . 1.1 mt -96.06 9.4 40.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.424 ' CD1' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -121.72 23.27 10.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.55 -165.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.36 -73.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.21 145.28 14.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.482 HG12 ' CZ ' ' A' ' 3' ' ' TYR . 5.8 pt -84.07 5.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -43.37 -36.47 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.77 62.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.52 -38.01 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 10.1 mt -74.38 -52.04 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 22.1 tt0 -55.54 -44.64 76.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' VAL . 4.0 t -70.37 -47.43 60.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -48.35 -45.44 35.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 20.1 pttt -73.28 -42.98 61.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.54 -22.57 66.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.245 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' CYS . 44.9 t -88.22 -57.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.36 -24.9 25.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -57.89 -16.7 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.501 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -81.46 177.75 2.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.1 Cg_endo -75.04 1.78 7.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -69.78 -62.27 1.45 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.65 160.0 22.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.57 1.169 . . . . 0.0 110.97 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.586 HD13 ' CE3' ' A' ' 109' ' ' TRP . 2.8 mm -43.74 -27.12 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.434 ' N ' ' C ' ' A' ' 105' ' ' GLY . 17.1 ttm180 -38.31 -39.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.22 -37.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.387 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.586 ' CE3' HD13 ' A' ' 106' ' ' ILE . 24.2 m-90 -94.34 62.34 2.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 107.959 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' ARG . 13.9 p -43.25 -27.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.812 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -47.63 -47.78 28.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -61.42 -33.32 73.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.493 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 3.1 tmm_? -64.45 -15.71 61.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -126.62 32.02 5.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.99 -45.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.615 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -88.95 -55.18 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.069 . . . . 0.0 108.292 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.402 ' OE1' ' CA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -72.65 56.14 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -147.75 -65.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -119.38 -171.27 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -91.49 97.93 11.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.874 HD12 ' HB3' ' A' ' 30' ' ' CYS . 1.4 tm? -92.22 13.02 20.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 -26.28 59.81 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -62.76 -15.35 53.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.63 -37.86 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.746 HG22 HG21 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -90.95 -33.14 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 0.0 109.238 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.421 ' N ' HG13 ' A' ' 125' ' ' ILE . 13.0 tpt180 -77.7 104.37 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 162.55 -27.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -23.95 59.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 108.365 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 106.55 32.96 3.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -138.93 115.96 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -100.97 168.4 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.265 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.718 ' HA ' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -41.58 -54.85 3.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -53.21 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -36.75 -65.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.785 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -45.19 -47.99 12.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.64 55.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.591 1.182 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -50.67 -56.55 11.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 15' ' ' ASN . 8.4 m -52.65 -56.61 14.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.434 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -46.0 -53.8 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -64.87 -27.49 68.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -76.33 -26.47 55.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.2 t30 -89.86 -42.24 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.94 55.65 0.47 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mmm -131.06 -40.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 0.724 . . . . 0.0 111.039 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -47.55 113.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.95 29.03 24.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.436 1.085 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' TYR . 9.3 t80 -48.43 178.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.398 0.705 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -35.63 -48.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.2 -61.36 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.733 HG11 ' CE2' ' A' ' 28' ' ' TRP . 12.2 t -43.99 120.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.534 0.785 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.54 150.7 21.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.712 ' HG ' HG21 ' A' ' 125' ' ' ILE . 10.0 tp -49.19 -43.74 42.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.84 87.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.592 ' OD1' ' CH2' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -67.8 -33.75 75.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.181 . . . . 0.0 109.327 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.733 ' CE2' HG11 ' A' ' 23' ' ' VAL . 16.9 m95 -67.99 -59.47 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.805 HG21 HG22 ' A' ' 125' ' ' ILE . 43.2 t -55.21 -57.26 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.629 ' HB2' HD22 ' A' ' 121' ' ' LEU . 8.8 t -51.74 -45.74 63.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.423 1.077 . . . . 0.0 108.226 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.652 ' CD1' ' CG ' ' A' ' 109' ' ' TRP . 14.8 tp -52.05 -62.05 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.785 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -55.93 -29.18 59.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.15 -53.54 19.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.603 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 2.5 t-160 -64.59 -28.59 69.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.574 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' SER . 10.8 mm-40 -71.39 -59.45 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.639 1.212 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER 160.29 51.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.607 ' O ' ' N ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -61.07 -151.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.168 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.511 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.9 OUTLIER 61.24 -63.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 111.011 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.607 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.6 m120 -104.02 140.86 37.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.547 HG22 HD12 ' A' ' 56' ' ' ILE . 36.7 p -103.62 34.35 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -117.63 11.96 13.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.247 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB3' ' C ' ' A' ' 55' ' ' GLY . . . -44.91 104.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.053 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.902 HG22 ' CD2' ' A' ' 54' ' ' TYR . 6.7 p -148.96 122.77 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.3 m-20 -150.18 98.35 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.503 ' HA ' HG23 ' A' ' 52' ' ' THR . 15.7 p90 -88.75 159.76 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -163.56 106.07 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -74.99 -31.08 61.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.601 1.188 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -36.53 -37.88 0.24 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' GLN . 4.4 t0 -129.25 33.28 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.52 ' CG ' HG21 ' A' ' 70' ' ' THR . 0.0 OUTLIER 34.76 51.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.563 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 79.2 p -140.71 153.44 45.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.659 HG22 ' CD1' ' A' ' 54' ' ' TYR . 3.0 m -145.21 133.5 21.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 0.0 110.48 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' ASN . 23.5 m-20 -102.67 102.34 12.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.902 ' CD2' HG22 ' A' ' 43' ' ' THR . 4.0 m-85 -127.5 158.83 36.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.472 ' C ' ' HB3' ' A' ' 42' ' ' ALA . . . 98.88 146.8 21.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.547 HD12 HG22 ' A' ' 40' ' ' THR . 9.2 tt -52.39 -32.15 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.764 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 18.4 m-85 -90.12 22.45 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 36.96 66.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.2 mt -89.38 133.69 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.43 124.94 28.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 9.4 t -82.48 7.12 15.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.563 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.4 OUTLIER -88.18 11.96 15.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.085 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.485 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.03 -37.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 111.038 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.552 ' CZ3' ' HB3' ' A' ' 76' ' ' ALA . 69.7 m95 -116.22 167.22 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.833 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER 59.1 154.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 108.307 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 8.2 p30 -106.43 -172.75 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 66' ' ' ASN . 11.1 t0 -162.32 -45.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.19 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.6 2.12 59.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.103 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 0.1 31.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.52 HG21 ' CG ' ' A' ' 50' ' ' GLN . 1.3 m -143.96 106.06 4.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 55.73 4.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' ALA . 2.0 ttt-85 -150.81 -44.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -49.87 179.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -149.63 95.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 30.2 p-10 -67.95 62.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.418 1.073 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -60.13 -16.08 29.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.574 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.8 t -89.24 -32.71 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.453 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.44 51.32 37.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.608 1.193 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.833 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -151.29 118.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 0.793 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 82' ' ' SER . 9.1 m-20 -50.7 124.33 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.65 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -48.14 -27.33 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 80' ' ' ASN . 0.1 OUTLIER -57.85 -31.34 66.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.981 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.24 67.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -100.83 13.54 34.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.222 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.58 6.93 14.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 87' ' ' ASP . 23.8 pt20 -106.14 -157.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -90.73 -58.55 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.51 110.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ALA . 16.4 pt -82.67 3.2 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 t -45.13 -35.51 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.404 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.37 -38.23 65.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -64.51 -41.16 96.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.2 mt -71.34 -48.45 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.203 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -57.09 -49.56 75.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.551 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -68.6 -41.95 78.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -50.54 -50.46 53.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 17.2 pttt -71.22 -40.37 71.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.527 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.8 ttt85 -64.27 -20.87 66.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 95' ' ' CYS . 39.7 t -89.8 -57.61 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -30.78 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -25.58 6.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 110.254 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.496 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -73.99 177.76 1.95 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.96 1.13 8.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -67.96 -62.07 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 78.34 162.57 20.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.591 HD13 ' CE3' ' A' ' 109' ' ' TRP . 2.9 mm -44.21 -27.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.582 0.813 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -42.92 -36.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.196 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.81 -33.11 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.284 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.652 ' CG ' ' CD1' ' A' ' 31' ' ' LEU . 12.9 m-90 -97.65 43.9 1.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 113' ' ' ARG . 11.3 p -40.87 -27.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 109.256 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.603 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -45.21 -51.33 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.392 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.649 ' CE3' ' CB ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.13 -34.47 72.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 108.018 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 110' ' ' VAL . 6.9 ttt-85 -75.88 -11.46 59.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.7 30.32 5.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 1.6 t60 -151.87 -48.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.84 ' SG ' HD22 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -89.72 -57.67 2.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 108.268 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 116' ' ' CYS . 1.7 tm0? -37.67 -30.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 116' ' ' CYS . 2.0 t-20 -47.88 -55.8 9.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.06 -168.86 1.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -91.5 102.34 15.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.84 HD22 ' SG ' ' A' ' 116' ' ' CYS . 0.5 OUTLIER -96.61 18.73 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -20.76 62.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.49 -9.82 58.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 5' ' ' ARG . 1.1 t80 -74.59 -24.36 58.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.805 HG22 HG21 ' A' ' 29' ' ' VAL . 2.3 pt -106.51 -29.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -75.42 -0.15 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 124' ' ' TYR . 29.0 p30 -84.98 -22.15 29.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 127' ' ' ASN . 0.4 OUTLIER -74.57 -25.65 59.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 108.331 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 102.6 30.09 5.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.358 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.517 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 72.1 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.577 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 8.4 m-85 -156.81 121.08 4.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ARG . 12.6 pt-20 -102.41 165.83 10.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -38.62 -68.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -44.38 -72.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.318 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -35.14 -66.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.608 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -46.63 -49.98 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 6' ' ' CYS . . . -51.82 -52.84 46.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.4 1.063 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -58.18 -51.19 70.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ASN . 13.2 m -57.05 -54.67 44.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.08 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.679 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -50.77 -50.19 56.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.73 -28.83 69.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -79.49 -22.15 44.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.19 -38.9 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.85 44.28 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.465 ' HE2' HG23 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -125.5 -38.61 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.949 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.876 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -49.93 112.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.54 33.17 28.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' TYR . 25.7 t80 -49.43 179.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -36.18 -52.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.943 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.42 -59.36 0.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.821 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.1 t -48.64 122.39 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 109.21 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -90.42 141.28 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.876 HD22 ' HB1' ' A' ' 18' ' ' ALA . 3.9 tp -43.02 -48.61 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.58 79.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 21.9 m-20 -66.16 -36.69 83.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.821 ' CE2' HG11 ' A' ' 23' ' ' VAL . 16.1 m95 -63.54 -55.37 24.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 107.964 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' GLN . 13.3 t -58.7 -63.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.399 1.062 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.683 ' CB ' HD23 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -45.19 -43.19 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 108.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.637 HD22 HD12 ' A' ' 106' ' ' ILE . 27.0 tp -58.28 -55.5 34.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.23 -19.81 65.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tm0? -74.19 -56.29 5.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.682 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.0 OUTLIER -60.76 -24.74 65.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.607 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' SER . 19.1 mm-40 -75.57 -63.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER 158.51 64.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.608 ' OD1' ' CD2' ' A' ' 8' ' ' PHE . 9.1 t30 -64.2 -155.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 5.7 m-85 62.4 -61.68 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ASN . 12.7 m-20 -129.06 150.42 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.465 HG22 HD11 ' A' ' 56' ' ' ILE . 4.0 p -103.36 49.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 43' ' ' THR . 4.4 ttt-85 -88.73 -18.72 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.15 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 54' ' ' TYR . 7.3 p -143.38 135.6 26.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.344 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -150.63 94.27 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -89.96 157.85 17.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' SER . 75.7 m-20 -160.87 103.67 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.7 tpp180 -76.69 -30.97 56.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.98 -36.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -137.1 35.51 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.3 tp60 36.44 50.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.483 ' HB3' ' CD ' ' A' ' 62' ' ' ARG . 90.7 p -132.98 147.52 52.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.572 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.9 m -140.97 164.68 29.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.433 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASN . 5.4 t0 -149.79 108.62 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.662 ' HE1' HD12 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -150.02 169.6 20.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.27 164.17 16.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.465 HD11 HG22 ' A' ' 40' ' ' THR . 3.2 mm -41.43 -60.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.536 0.786 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -89.14 23.23 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 40.65 77.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 9.8 mt -89.22 147.22 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.9 OUTLIER -80.42 135.12 36.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.656 ' OG ' ' CE2' ' A' ' 54' ' ' TYR . 0.7 OUTLIER -92.51 1.75 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.483 ' CD ' ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.04 -39.94 14.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.343 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.412 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -102.6 -46.55 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.412 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 28.6 m-90 -97.71 158.05 15.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.071 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.702 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.7 147.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.464 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . 11.9 t30 -89.99 -94.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 5.1 t70 176.24 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.12 -1.93 86.69 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.612 1.195 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.5 -46.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 72' ' ' ARG . 3.1 m -107.19 103.32 47.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 60.05 5.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.617 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -121.15 -58.02 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -39.93 138.83 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.4 p -90.1 56.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.464 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 26.5 p-10 -38.96 96.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -85.0 -16.84 39.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.64 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.0 t -90.13 -32.52 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.424 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 74.01 61.03 3.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.584 1.178 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -150.03 158.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.361 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.691 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 1.8 m-20 -70.77 123.79 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 7.8 m -49.35 -48.31 46.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.245 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 t -54.42 -25.11 22.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -63.97 -12.24 35.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.662 HD12 ' HE1' ' A' ' 54' ' ' TYR . 15.0 mt -98.12 10.57 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.0 25.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -97.41 -164.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -88.2 -71.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.98 129.0 39.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ALA . 4.8 pt -82.95 3.67 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.9 t -42.98 -37.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.2 64.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -62.37 -35.87 80.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.465 HG23 ' HE2' ' A' ' 17' ' ' MET . 12.2 mt -74.02 -53.74 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.366 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 5.2 tp60 -54.05 -43.32 70.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 99' ' ' VAL . 7.3 t -69.26 -53.66 18.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -43.73 -47.41 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -70.84 -43.04 69.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.506 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.32 -17.97 63.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 110.365 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 42.4 t -91.4 -55.93 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -31.6 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -53.28 -25.01 13.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.489 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -74.28 177.98 1.89 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.1 Cg_endo -75.0 2.28 6.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -68.94 -62.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.82 163.66 14.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.135 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.637 HD12 HD22 ' A' ' 31' ' ' LEU . 9.5 mm -47.67 -30.06 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -31.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.06 -32.11 14.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.593 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 9.5 m-90 -102.81 66.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 113' ' ' ARG . 11.9 p -45.94 -25.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.682 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -47.74 -46.27 29.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.525 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -60.45 -33.58 72.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 107.997 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.48 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 47.9 ttt-85 -64.87 -14.75 60.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.18 32.96 4.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.89 -45.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.525 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.53 -54.03 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.241 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.57 -13.61 15.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.403 1.064 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -62.15 -66.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.77 -169.94 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -88.0 103.59 15.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.683 HD23 ' CB ' ' A' ' 30' ' ' CYS . 14.7 tp -101.43 21.75 13.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.1 t -73.92 -21.77 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.938 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.74 -9.4 58.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -33.19 62.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.606 HG21 ' HG ' ' A' ' 25' ' ' LEU . 3.7 pt -94.03 -36.05 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 15.6 tpt180 -75.94 103.65 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 161.69 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -24.79 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.341 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.13 31.33 3.11 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 38' ' ' TYR . 42.9 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -158.22 143.62 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.92 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' ARG . 9.8 pt-20 -101.31 177.84 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -38.14 -50.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -56.15 -77.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.407 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.3 mt-10 -35.98 -65.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.643 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 9.5 t80 -42.91 -51.09 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 111.034 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.42 -54.26 48.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.96 -56.24 9.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.422 1.076 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.1 m -54.91 -54.95 36.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.473 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.496 HD23 ' CA ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -45.72 -51.27 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HD2' ' HB3' ' A' ' 18' ' ' ALA . 1.5 tptt -68.57 -28.31 66.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' THR . 18.1 ttp180 -74.21 -26.38 60.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.3 t-20 -90.43 -40.9 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.09 50.0 0.75 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.146 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 -40.13 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.738 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -47.3 112.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 89.78 28.23 19.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 21' ' ' TYR . 30.2 t80 -47.53 178.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.68 -56.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.89 -63.83 0.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.834 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.6 t -43.64 120.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.497 0.763 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -89.63 146.83 24.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.971 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.738 HD13 ' CB ' ' A' ' 18' ' ' ALA . 20.8 tp -43.97 -46.21 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.34 94.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 49.0 m-20 -64.48 -37.15 86.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.834 ' CE2' HG11 ' A' ' 23' ' ' VAL . 11.9 m95 -65.76 -56.99 9.08 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.868 HG21 HG22 ' A' ' 125' ' ' ILE . 56.1 t -55.38 -59.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.871 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -50.53 -43.16 55.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.254 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.707 HD22 HD12 ' A' ' 106' ' ' ILE . 35.9 tp -62.27 -58.72 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . . . -56.94 -25.07 56.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' VAL . 43.5 tp60 -72.69 -55.44 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.417 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 2.6 t60 -60.84 -24.17 65.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.603 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.512 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 7.3 mm-40 -74.63 -59.38 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 7.6 t -176.76 -62.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' A' ' 39' ' ' ASN . 2.1 t-20 55.94 -169.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 3' ' ' TYR . 2.5 m-85 60.3 -74.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -122.41 138.56 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.598 HG21 ' OH ' ' A' ' 3' ' ' TYR . 42.7 p -81.65 59.61 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 43' ' ' THR . 2.0 ttp85 -102.45 -15.22 16.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.587 ' HB2' ' HB2' ' A' ' 36' ' ' SER . . . -51.86 92.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.628 HG22 ' HB2' ' A' ' 54' ' ' TYR . 7.5 p -138.26 134.38 34.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -149.97 92.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.793 ' HA ' HG23 ' A' ' 52' ' ' THR . 28.0 p90 -88.75 155.17 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -161.66 103.76 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' GLY . 8.5 ttp-105 -75.37 -30.36 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -32.98 -41.92 0.13 Allowed Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.468 1.105 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -133.15 34.52 3.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 0.722 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.517 ' HG3' HG21 ' A' ' 70' ' ' THR . 12.8 tm0? 36.14 61.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 22.6 p -144.86 129.14 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.793 HG23 ' HA ' ' A' ' 45' ' ' TYR . 87.8 m -125.21 126.7 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -108.74 103.6 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.679 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 p90 -152.67 162.91 40.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.64 156.02 9.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.516 HG12 ' CE1' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -47.42 -35.17 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.518 ' CZ ' ' CE3' ' A' ' 28' ' ' TRP . 10.8 m-85 -106.56 22.38 15.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 38.52 85.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 66.7 mt -104.6 145.04 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 52' ' ' THR . 2.7 m-80 -91.2 139.25 30.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' THR . 14.2 t -91.35 9.63 30.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.497 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.5 OUTLIER -89.58 -26.86 20.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -116.91 -53.17 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.701 ' CZ3' ' HB3' ' A' ' 76' ' ' ALA . 69.0 m95 -99.56 160.5 14.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 107.965 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.768 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.36 153.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.163 . . . . 0.0 108.294 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.84 169.8 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -128.18 -46.15 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.07 -0.3 69.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -90.92 -16.35 28.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.517 HG21 ' HG3' ' A' ' 50' ' ' GLN . 1.2 m -139.89 106.74 6.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 57.38 4.57 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.409 1.742 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.4 -51.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.477 ' HB2' ' OE1' ' A' ' 50' ' ' GLN . . . -44.59 159.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 74' ' ' VAL . 11.0 p -123.39 66.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 75' ' ' ASN . 5.0 p-10 -51.83 93.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.701 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -79.01 -8.68 59.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.509 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.2 t -90.68 -38.39 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.53 54.41 26.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.768 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -144.28 158.21 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.79 . . . . 0.0 109.275 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.6 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 3.7 t30 -62.65 120.86 12.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.418 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 1.2 m -49.85 -46.42 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.307 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.52 -24.57 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -62.64 -13.47 32.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.121 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.679 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 43.4 mt -104.01 16.67 25.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.86 15.09 2.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -102.23 -168.96 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.83 -70.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -43.68 126.83 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.441 ' CG2' ' OH ' ' A' ' 3' ' ' TYR . 24.0 pt -91.16 2.55 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -43.49 -44.48 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . -72.3 -37.72 68.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.667 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -59.28 -43.91 92.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 22.7 mt -72.22 -49.7 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.26 -49.62 73.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -67.87 -42.75 80.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 108.284 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.73 -49.8 46.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 8.0 ptmt -71.22 -40.81 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -64.32 -21.46 66.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 95' ' ' CYS . 49.7 t -88.7 -58.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 96' ' ' ALA . 91.6 t -57.37 -28.71 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -19.01 3.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -79.88 176.85 3.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -74.96 3.02 5.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -70.51 -62.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.232 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 78.11 161.43 17.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.707 HD12 HD22 ' A' ' 31' ' ' LEU . 7.9 mm -40.34 -29.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.451 0.736 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.454 ' N ' ' C ' ' A' ' 105' ' ' GLY . 23.7 ttm-85 -41.53 -36.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.49 -35.02 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.512 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 22.4 m-90 -100.98 63.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' ARG . 7.7 p -39.53 -31.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 109' ' ' TRP . . . -44.7 -51.26 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.553 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.12 -37.59 77.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.471 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -64.93 -14.83 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.12 29.88 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.65 -47.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.25 -53.25 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 108.236 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.16 56.56 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -146.74 -65.92 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -123.51 -171.99 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.87 100.19 12.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' A' ' 30' ' ' CYS . 1.5 tt -96.1 15.23 21.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.4 m -74.14 -21.97 59.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -69.38 -11.43 60.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -37.96 37.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.868 HG22 HG21 ' A' ' 29' ' ' VAL . 1.3 pt -88.93 -31.58 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.377 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 127' ' ' ASN . 10.2 tpt180 -76.54 95.52 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 42.7 t30 171.62 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -24.08 60.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 111.55 34.16 2.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.325 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.588 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 97.4 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 63.7 m-85 -162.81 140.37 8.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 5' ' ' ARG . 6.6 pt-20 -107.28 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -36.48 -63.65 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.2 m -49.58 -80.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -34.34 -64.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 4' ' ' GLU . 12.0 t80 -43.64 -47.96 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -59.06 -55.87 29.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -48.38 -58.83 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASN . 9.7 m -52.14 -53.3 44.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.69 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 1.1 mp -46.93 -53.39 12.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 1.9 tptm -64.58 -29.98 71.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -25.07 58.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.7 t30 -89.57 -41.27 12.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.59 36.47 1.42 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.473 ' HG3' ' CG2' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -116.53 -32.02 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -60.45 108.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.86 30.09 13.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.071 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.6 t80 -48.61 177.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -35.58 -56.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 111.033 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.18 -63.38 0.38 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 28' ' ' TRP . 12.2 t -47.83 120.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.88 149.99 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.942 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.744 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 2.8 tp -49.4 -43.78 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.86 94.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.41 ' HA ' ' SG ' ' A' ' 116' ' ' CYS . 65.9 m-20 -65.07 -39.05 92.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.79 ' CE2' HG11 ' A' ' 23' ' ' VAL . 24.2 m95 -62.54 -59.35 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.801 HG21 HG22 ' A' ' 125' ' ' ILE . 46.7 t -51.71 -62.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.85 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -44.98 -48.1 11.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 108.292 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.598 HD11 ' CG ' ' A' ' 109' ' ' TRP . 25.9 tp -55.82 -52.79 62.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.61 -20.36 66.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -73.83 -55.85 5.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.464 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.9 t-80 -70.89 -22.83 62.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.64 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -75.47 -62.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 110.231 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.484 ' OG ' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -162.86 -68.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 65.0 t30 74.98 171.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 65.1 m-85 59.0 -111.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -87.44 134.17 33.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.656 HG22 HD12 ' A' ' 56' ' ' ILE . 29.1 p -84.61 50.7 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.9 ttt-85 -78.68 -16.8 56.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.484 ' HB2' ' OG ' ' A' ' 36' ' ' SER . . . -47.72 103.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.55 HG22 ' CB ' ' A' ' 54' ' ' TYR . 2.9 p -144.0 140.12 29.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -151.18 95.54 2.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.609 1.193 . . . . 0.0 109.373 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.401 ' HA ' HG23 ' A' ' 52' ' ' THR . 20.2 p90 -90.69 149.91 21.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -160.3 103.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -80.54 -29.88 37.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.77 -34.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLN . 5.5 t70 -136.6 32.08 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' ASP . 5.2 tp-100 34.24 60.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 72.3 m -149.93 114.43 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.677 HG21 ' CE2' ' A' ' 54' ' ' TYR . 2.5 m -110.9 165.84 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.0 OUTLIER -150.27 112.89 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.677 ' CE2' HG21 ' A' ' 52' ' ' THR . 0.1 OUTLIER -150.94 171.13 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.76 157.96 11.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.656 HD12 HG22 ' A' ' 40' ' ' THR . 5.1 tt -54.6 -40.91 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.611 0.83 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -92.22 11.68 24.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 49.73 79.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 76.8 mt -99.5 145.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.15 138.93 30.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 8.8 t -92.85 4.62 53.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.51 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 2.2 ptt180 -88.76 -15.79 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -126.9 -52.89 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CE3' ' HB3' ' A' ' 76' ' ' ALA . 81.7 m95 -97.11 154.94 17.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.685 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.01 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.32 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.494 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . 12.6 t30 -96.2 -96.5 0.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 1.6 t70 173.54 -47.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' H ' ' ND2' ' A' ' 66' ' ' ASN . . . 89.29 -1.02 81.92 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.47 1.106 . . . . 0.0 111.104 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.82 -43.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 0.722 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -108.4 101.61 43.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 71.04 5.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.485 1.782 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 73' ' ' ALA . 1.4 mmt180 -141.51 -55.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -38.41 137.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 0.0 109.223 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 74' ' ' VAL . 15.0 p -88.71 59.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.494 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 28.9 p-10 -44.32 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . . . -81.53 -12.83 58.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.551 ' HB3' HD12 ' A' ' 79' ' ' ILE . 18.5 t -90.68 -25.74 19.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.09 53.41 30.11 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.685 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -149.11 166.34 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.254 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -83.27 123.78 29.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.427 ' SG ' ' OH ' ' A' ' 54' ' ' TYR . 83.7 m -47.72 -31.48 4.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -29.65 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -65.79 -10.7 39.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 65' ' ' CYS . 2.3 mt -103.09 8.53 38.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 85' ' ' LEU . 9.7 tp -137.53 11.6 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -93.13 -171.41 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -69.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.92 133.14 43.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ALA . 9.4 pt -93.52 1.02 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -43.64 -36.31 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.643 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -73.52 -40.98 63.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.674 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.83 -40.04 91.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 11.4 mt -72.48 -50.84 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -56.53 -48.82 76.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.764 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.6 OUTLIER -67.58 -42.77 81.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 108.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -50.68 -49.37 57.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -69.44 -43.76 72.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.6 OUTLIER -61.69 -23.43 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 95' ' ' CYS . 75.8 t -85.26 -57.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 96' ' ' ALA . 58.0 t -60.62 -22.3 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 -64.82 -16.19 62.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.513 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -77.48 178.44 2.11 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.04 1.81 7.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -69.31 -61.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.55 157.46 15.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.569 HD13 ' CZ3' ' A' ' 109' ' ' TRP . 6.5 mm -42.24 -28.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -41.96 -35.5 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.81 -35.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.615 1.197 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CG ' HD11 ' A' ' 31' ' ' LEU . 17.2 m-90 -102.41 64.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 108.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' ARG . 95.9 t -44.38 -27.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -47.08 -47.62 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -58.91 -35.68 73.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 107.987 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 110' ' ' VAL . 26.2 ttt180 -65.0 -15.42 62.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.02 30.94 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.55 -44.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.575 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.521 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.47 -53.96 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.227 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -14.58 23.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.1 -71.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -134.98 -166.97 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.65 104.04 5.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.867 HD13 ' O ' ' A' ' 121' ' ' LEU . 1.5 tm? -98.35 15.69 23.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.4 t -82.17 -16.21 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -72.01 -16.62 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -78.85 -30.15 44.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.801 HG22 HG21 ' A' ' 29' ' ' VAL . 1.1 pt -98.48 -27.23 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 2.9 ttt180 -78.53 123.18 26.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 19.3 t30 74.85 24.98 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -82.06 -33.18 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.62 36.37 1.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 45.5 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.526 ' CE2' HG23 ' A' ' 89' ' ' ILE . 69.9 m-85 -140.73 118.37 11.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 5' ' ' ARG . 1.3 pt-20 -97.78 166.59 11.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' GLU . 1.1 ptt-85 -34.6 -56.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLU . 75.9 m -54.01 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.33 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 6' ' ' CYS . 4.1 mt-10 -34.47 -64.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.647 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -40.78 -53.31 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.649 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -56.86 -55.86 29.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -47.69 -59.46 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ASN . 17.5 m -50.47 -55.72 14.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -45.81 -53.63 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -65.72 -26.52 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' THR . 36.4 ttt85 -76.62 -27.08 55.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.0 t30 -89.72 -42.8 11.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.39 59.66 0.49 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.578 ' SD ' ' CZ2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -129.75 -41.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 0.719 . . . . 0.0 111.018 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.97 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -57.9 123.07 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 94.63 20.4 29.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.6 t80 -49.22 -178.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 110.988 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.94 -42.26 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.424 1.077 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.3 -64.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.08 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.004 HG11 HG13 ' A' ' 106' ' ' ILE . 11.6 m -45.02 114.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.3 165.72 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.97 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 29.7 tp -47.62 -44.16 26.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.58 91.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' OD2' HG12 ' A' ' 23' ' ' VAL . 32.3 t0 -64.01 -39.82 94.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ2' ' SD ' ' A' ' 17' ' ' MET . 71.8 m95 -65.92 -60.96 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.037 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.78 HG21 HG22 ' A' ' 125' ' ' ILE . 75.7 t -48.48 -57.69 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.737 ' HB3' HD12 ' A' ' 121' ' ' LEU . 1.5 p -53.88 -47.3 71.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.652 HD11 ' CD2' ' A' ' 109' ' ' TRP . 3.8 tp -53.61 -56.51 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.647 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -61.72 -25.22 67.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -68.12 -52.4 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.172 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -66.87 -22.96 65.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -77.13 -64.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.1 t -163.99 -67.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.585 ' O ' ' N ' ' A' ' 39' ' ' ASN . 7.5 t-20 66.76 176.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 14.5 m-85 62.45 -62.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.585 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.5 m120 -113.6 136.81 52.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.8 ' HB ' HD12 ' A' ' 56' ' ' ILE . 6.8 t -108.16 47.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ttp-105 -120.45 19.48 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 0.0 110.309 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.835 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -50.22 119.47 3.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.917 HG22 ' CD2' ' A' ' 54' ' ' TYR . 5.8 p -150.15 131.72 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.7 t30 -151.27 103.04 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.713 ' HA ' HG23 ' A' ' 52' ' ' THR . 1.7 t80 -87.82 149.14 24.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -161.81 103.79 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.12 -31.97 39.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.85 -42.92 1.17 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.428 1.08 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -120.15 30.56 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 0.818 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' A' ' 49' ' ' ASP . 3.6 tp60 33.49 54.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.528 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 53.8 p -146.48 150.48 35.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.173 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.713 HG23 ' HA ' ' A' ' 45' ' ' TYR . 98.9 m -135.07 154.54 51.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -124.22 99.48 6.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.917 ' CD2' HG22 ' A' ' 43' ' ' THR . 3.5 m-85 -126.29 158.41 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.835 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 102.04 146.03 17.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.8 HD12 ' HB ' ' A' ' 40' ' ' THR . 13.4 tt -53.54 -32.81 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -89.43 21.4 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 40.64 67.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.7 mt -89.96 133.26 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.622 1.202 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.1 t-20 -77.44 133.67 38.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -90.47 5.57 47.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.528 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 18.5 ttt180 -91.72 -20.24 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -122.66 -48.66 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.525 ' O ' ' HA ' ' A' ' 61' ' ' SER . 8.1 m-90 -110.74 154.47 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.039 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.535 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.8 OUTLIER 55.71 167.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.505 ' OD1' ' HB3' ' A' ' 73' ' ' ALA . 14.1 t30 -159.21 -167.87 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -121.97 -52.82 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.86 1.26 17.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -101.79 -17.26 16.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.592 0.819 . . . . 0.0 109.33 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -124.41 90.83 50.36 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 68.98 5.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -145.07 -50.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.505 ' HB3' ' OD1' ' A' ' 66' ' ' ASN . . . -42.72 164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 74' ' ' VAL . 14.9 p -120.04 53.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -50.26 96.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.46 -12.38 60.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.537 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.7 t -90.58 -36.95 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.11 55.64 18.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.631 HD13 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -150.78 173.52 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' ALA . 7.0 m-20 -89.13 120.47 30.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.8 m -47.01 -30.37 2.59 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -38.96 75.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -61.13 -15.15 30.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 92' ' ' ALA . 17.2 mt -102.26 13.02 35.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.556 HD11 HG23 ' A' ' 43' ' ' THR . 0.8 OUTLIER -132.83 25.31 4.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.37 -165.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.349 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -76.28 -56.16 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 109.216 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -77.85 136.83 38.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.526 HG23 ' CE2' ' A' ' 3' ' ' TYR . 44.3 pt -87.05 3.74 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 t -44.5 -47.54 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.431 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 83' ' ' ALA . . . -68.59 -36.83 79.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.428 ' HA ' HD22 ' A' ' 84' ' ' LEU . . . -61.71 -48.23 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.3 mt -64.88 -48.58 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.408 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 1.5 tt0 -53.28 -45.62 68.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.4 t -70.62 -44.07 67.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.97 -49.97 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.538 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 22.0 pttt -70.12 -40.53 74.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.538 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 8.0 ttt180 -62.78 -25.0 68.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.521 HG22 ' CD1' ' A' ' 64' ' ' TRP . 17.5 t -85.9 -55.97 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.222 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -32.83 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -46.68 -27.83 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.302 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.485 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.18 177.65 1.67 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.07 -1.81 11.73 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -64.43 -61.91 1.93 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 0.0 110.354 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 77.27 153.21 5.53 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.004 HG13 HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -41.07 -29.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 0.805 . . . . 0.0 109.407 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' N ' ' C ' ' A' ' 105' ' ' GLY . 8.7 ttp180 -39.41 -35.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.18 -35.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.729 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 12.8 m-90 -90.48 57.12 3.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 113' ' ' ARG . 77.4 t -40.87 -29.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -45.28 -50.15 12.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.466 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -56.5 -39.48 73.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 107.99 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.466 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 9.3 ttp180 -61.72 -15.17 38.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.87 32.04 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.357 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.6 -45.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.67 -54.3 4.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 108.249 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.56 55.79 0.66 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -146.06 -61.63 0.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -170.07 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -88.58 99.53 12.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.852 HD13 ' O ' ' A' ' 121' ' ' LEU . 1.4 tm? -96.96 16.23 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.378 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.73 -27.43 40.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.71 -14.65 61.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -25.87 42.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.78 HG22 HG21 ' A' ' 29' ' ' VAL . 7.7 pt -101.83 -35.05 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.1 OUTLIER -74.85 122.5 23.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 45.6 t30 82.46 29.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' ILE . 0.3 OUTLIER -96.16 -32.89 12.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 111.92 38.4 1.41 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.595 1.185 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.562 0.801 . . . . 0.0 109.304 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 39' ' ' ASN . 2.4 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.907 ' CE2' HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -162.05 141.51 9.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.416 1.073 . . . . 0.0 111.04 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -109.44 174.08 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.92 -68.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -46.93 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.256 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -31.27 -68.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.816 ' CE1' ' CE2' ' A' ' 3' ' ' TYR . 1.6 t80 -42.53 -59.08 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.06 -51.46 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -63.1 -53.85 47.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.531 HG21 HD11 ' A' ' 89' ' ' ILE . 15.2 m -54.44 -54.35 42.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -54.51 -49.22 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -62.25 -29.23 70.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.83 -19.46 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -88.24 -40.71 13.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.01 41.87 1.62 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 ttt -122.42 -38.35 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.684 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -51.92 111.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 87.15 30.77 18.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' TYR . 22.6 t80 -47.92 178.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -33.86 -52.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.86 -64.52 0.2 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.672 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.5 t -44.6 122.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.14 151.79 21.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.79 ' O ' HG23 ' A' ' 29' ' ' VAL . 4.5 tp -47.46 -46.94 27.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.67 95.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -62.54 -37.64 86.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.672 ' CE2' HG11 ' A' ' 23' ' ' VAL . 59.6 m95 -65.87 -61.05 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 108.046 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 25' ' ' LEU . 12.3 t -50.54 -55.1 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.844 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -52.33 -49.84 63.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.449 1.093 . . . . 0.0 108.265 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 109' ' ' TRP . 1.5 tm? -48.89 -57.23 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.527 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -68.57 -20.69 64.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.388 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 29' ' ' VAL . 4.8 tm0? -66.12 -53.4 38.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' ND1' ' A' ' 115' ' ' HIS . 5.6 t-160 -64.09 -17.73 63.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.666 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 5.1 mm-40 -81.18 -66.69 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.8 p -164.07 -67.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.581 ' HA ' HD11 ' A' ' 56' ' ' ILE . 5.5 t30 73.69 170.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 3' ' ' TYR . 9.8 m-85 69.42 -58.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.422 ' HB3' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -138.7 131.58 29.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.6 HG22 HD12 ' A' ' 56' ' ' ILE . 18.3 p -76.66 54.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 110.381 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -6.7 58.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -52.11 103.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 1.067 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.1 p -147.47 123.95 11.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.456 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.78 101.24 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.414 ' HA ' HG23 ' A' ' 52' ' ' THR . 3.0 t80 -88.3 154.95 20.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -159.85 104.23 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -76.7 -34.73 58.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -37.15 -39.79 0.49 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.599 1.187 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 50' ' ' GLN . 36.5 t70 -125.33 33.04 5.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 49' ' ' ASP . 14.2 pt20 32.91 44.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 67.9 m -132.97 147.85 52.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.944 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.714 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.6 m -139.92 133.36 30.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 110.36 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -104.38 95.87 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 1.067 ' CD2' HG22 ' A' ' 43' ' ' THR . 5.0 m-85 -126.05 159.77 31.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 111.058 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.665 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 105.64 145.11 12.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.907 HD13 ' CE2' ' A' ' 3' ' ' TYR . 5.6 tt -51.13 -35.18 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.406 ' O ' ' NE1' ' A' ' 109' ' ' TRP . 22.2 m-85 -89.9 19.96 4.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' GLY . 3.6 tp60 42.27 69.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.1 mt -95.25 141.12 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' THR . 3.1 p30 -85.42 131.8 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.216 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' THR . 12.3 m -90.34 11.59 20.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.15 -19.99 24.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.362 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -126.22 -54.96 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.951 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 1.4 m95 -97.41 160.55 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.755 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 58.21 160.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.445 HD21 ' HB3' ' A' ' 73' ' ' ALA . 2.0 t-20 -140.42 -164.2 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -137.43 -51.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.2 -3.61 28.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -113.75 -13.3 12.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.9 m -121.25 86.78 43.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 55.33 3.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.54 -50.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.445 ' HB3' HD21 ' A' ' 66' ' ' ASN . . . -44.85 167.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 76' ' ' ALA . 14.3 p -119.99 47.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -41.24 96.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -84.76 -8.28 58.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.663 ' HB3' HD12 ' A' ' 79' ' ' ILE . 1.8 t -89.82 -30.7 17.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.436 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 64.68 51.21 53.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.755 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -150.39 134.27 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -63.47 119.65 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.734 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -46.09 -26.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 80' ' ' ASN . 3.1 m -54.82 -35.98 64.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.86 -18.85 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 81' ' ' CYS . 0.7 OUTLIER -106.62 18.59 21.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.67 -75.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -143.94 31.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.02 -67.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -168.1 -179.85 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.213 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.531 HD11 HG21 ' A' ' 11' ' ' THR . 2.6 pt -98.74 -17.81 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.4 -45.16 12.54 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.459 1.099 . . . . 0.0 110.485 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.85 82.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.707 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -63.2 -37.7 88.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.5 mt -71.97 -53.85 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -54.88 -47.08 74.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 110.363 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.519 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -69.5 -41.29 76.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 108.315 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -51.59 -48.04 63.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 3.8 ptpt -71.8 -43.56 65.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 2.7 ttt180 -63.22 -21.75 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 95' ' ' CYS . 26.5 t -88.63 -58.09 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -31.63 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -48.28 -27.57 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.604 1.19 . . . . 0.0 110.372 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.474 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -71.62 176.6 2.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.0 Cg_endo -75.09 2.08 7.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -68.25 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 76.3 160.77 10.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.545 HD13 ' CZ3' ' A' ' 109' ' ' TRP . 3.6 mm -41.0 -29.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -42.71 -34.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.3 -34.93 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.729 ' HB2' HD21 ' A' ' 31' ' ' LEU . 19.1 m-90 -98.93 64.43 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 113' ' ' ARG . 76.3 t -41.61 -29.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.504 ' HB1' ' ND1' ' A' ' 34' ' ' HIS . . . -46.35 -48.72 18.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.087 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.407 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -53.96 -37.98 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 107.995 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 110' ' ' VAL . 7.5 ttt180 -61.33 -15.83 39.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.273 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.03 32.87 4.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.599 ' ND1' ' CE1' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -146.63 -46.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.671 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -54.59 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 108.319 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.68 56.95 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -144.83 -58.38 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.61 -170.3 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -94.31 100.51 12.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.844 HD22 ' HB3' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -93.01 15.05 15.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -24.35 62.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -12.66 60.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.52 -33.89 54.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.571 HG22 HG21 ' A' ' 29' ' ' VAL . 1.2 pt -96.22 -34.53 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 127' ' ' ASN . 18.8 tpt180 -76.88 109.87 11.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 163.68 -27.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -24.34 60.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.261 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 103.14 30.38 5.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' TYR . 8.6 m-85 -163.21 137.89 6.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 5' ' ' ARG . 22.9 pt-20 -99.31 174.68 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.563 ' HA ' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -37.49 -65.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -45.82 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 108.334 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -35.26 -65.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 0.8 OUTLIER -40.7 -51.33 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.11 -57.26 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -52.42 -54.92 25.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.6 m -51.13 -52.76 40.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 2.3 mp -51.91 -56.67 12.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.617 ' HG2' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -61.05 -24.7 66.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' ARG . 1.3 ttt180 -81.91 -25.32 35.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.7 t30 -90.14 -44.02 10.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.22 42.33 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -124.04 -38.42 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 111.018 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.951 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -49.24 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' MET . . . 107.58 29.17 4.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.471 ' O ' ' C ' ' A' ' 21' ' ' TYR . 5.6 t80 -47.25 177.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.981 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -31.82 -44.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.77 -66.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.751 HG22 ' CD1' ' A' ' 28' ' ' TRP . 2.3 p -52.38 111.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -89.95 166.4 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.951 HD22 ' HB1' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -49.87 -31.53 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.76 67.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.621 ' HB3' HG23 ' A' ' 23' ' ' VAL . 54.0 t0 -65.71 -35.17 79.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.751 ' CD1' HG22 ' A' ' 23' ' ' VAL . 86.4 m95 -66.37 -58.93 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 25' ' ' LEU . 60.4 t -50.79 -59.06 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.781 ' HB3' HD22 ' A' ' 121' ' ' LEU . 1.2 p -52.92 -45.13 67.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.924 HD22 HD12 ' A' ' 106' ' ' ILE . 22.8 tp -55.13 -52.56 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . . . -66.44 -23.31 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' VAL . 35.2 tp60 -69.31 -53.2 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -64.83 -23.59 67.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.589 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 4.8 mm-40 -80.7 -59.66 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.365 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.78 -64.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 39' ' ' ASN . 4.9 t-20 65.42 179.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 5.5 m-85 61.3 -62.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.613 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.8 m-20 -127.62 145.26 50.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.729 HG22 HD12 ' A' ' 56' ' ' ILE . 52.8 p -98.15 55.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.54 ' O ' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -90.45 -19.97 23.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 54' ' ' TYR . . . -40.49 98.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 41' ' ' ARG . 5.1 p -136.95 129.26 29.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.465 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.41 89.12 1.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.657 ' CE2' HG21 ' A' ' 52' ' ' THR . 38.4 m-85 -90.3 158.68 17.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -162.03 104.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.3 ttm180 -74.16 -32.1 62.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.26 -35.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -139.18 32.96 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 49' ' ' ASP . 21.5 tp60 34.18 53.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 93.2 p -137.88 116.15 11.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.657 HG21 ' CE2' ' A' ' 45' ' ' TYR . 2.3 m -112.87 152.52 29.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -135.97 105.43 6.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.7 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 p90 -152.63 167.66 28.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.59 156.96 10.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.729 HD12 HG22 ' A' ' 40' ' ' THR . 1.2 tt -46.89 -38.52 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 18.5 m-85 -104.35 24.21 11.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 39.66 77.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.2 mt -96.17 149.86 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -90.61 135.37 33.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.66 0.61 57.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.423 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 1.3 ttt180 -88.07 -15.6 35.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.47 -60.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.887 ' CD2' HG22 ' A' ' 99' ' ' VAL . 84.2 m95 -92.36 159.51 15.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.532 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.09 154.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 1.5 t-20 -134.87 -170.82 2.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -127.98 -48.78 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.52 -0.36 37.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -131.22 12.54 5.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 0.79 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 70' ' ' THR . 1.4 m -129.76 88.76 48.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.47 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.52 5.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.44 -62.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.84 162.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' ALA . 8.2 p -123.0 59.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 4.8 p-10 -43.08 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -79.62 -10.06 59.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.9 t -91.32 -30.63 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.312 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.48 45.26 96.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.581 HD13 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -137.87 169.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' N ' HG12 ' A' ' 79' ' ' ILE . 4.3 m-20 -72.45 121.59 19.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.593 1.183 . . . . 0.0 109.378 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.429 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 1.3 m -51.02 -29.85 13.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 5.6 p -59.76 -23.59 63.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.889 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -65.91 -10.18 36.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.7 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 16.1 mt -101.9 6.08 41.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.6 tp -145.07 16.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 82' ' ' SER . 4.0 mm-40 -90.21 -172.45 3.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.17 -70.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -56.87 142.26 41.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 93' ' ' ILE . 4.8 pt -95.62 -0.09 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -42.81 -37.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.889 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -73.63 -43.45 59.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -56.6 -40.83 75.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 89' ' ' ILE . 8.7 mt -73.19 -53.93 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -54.64 -43.94 72.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.8 t -70.72 -43.66 68.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -51.55 -45.25 62.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -73.11 -44.43 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 12.4 tpt180 -60.75 -27.63 68.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 110.351 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.887 HG22 ' CD2' ' A' ' 64' ' ' TRP . 15.3 t -82.92 -56.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 102' ' ' ASP . 16.4 t -54.49 -30.54 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.46 -22.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.519 ' OD2' ' CG ' ' A' ' 104' ' ' GLN . 0.0 OUTLIER -57.95 174.82 0.31 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.224 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.94 -34.83 3.6 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.551 1.816 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.519 ' CG ' ' OD2' ' A' ' 102' ' ' ASP . 3.6 mm100 -56.84 -62.27 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 90.37 -178.49 43.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.924 HD12 HD22 ' A' ' 31' ' ' LEU . 4.0 mm -40.57 -29.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.581 0.812 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 105' ' ' GLY . 6.1 ttt180 -38.92 -38.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.04 -37.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.6 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 20.1 m-90 -96.71 67.01 2.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 113' ' ' ARG . 13.7 p -48.97 -23.33 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.79 -41.27 44.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.52 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -65.41 -30.95 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 107.946 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.496 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 34.6 ttt180 -66.94 -15.2 63.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.09 31.34 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 -44.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.74 -54.52 4.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 108.329 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -8.99 25.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -69.76 -64.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.45 -171.5 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -85.44 102.06 13.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.781 HD22 ' HB3' ' A' ' 30' ' ' CYS . 2.1 tt -91.72 14.03 16.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 m -72.17 -28.93 63.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -12.66 61.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -76.39 -33.58 58.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.8 pt -92.61 -39.75 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -69.48 101.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.0 OUTLIER 161.75 -27.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -24.84 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 108.349 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 104.81 29.06 5.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.778 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.564 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 76.4 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE2' HG12 ' A' ' 89' ' ' ILE . 7.4 m-85 -155.28 107.5 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.2 176.02 5.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.574 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -45.16 -48.75 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -58.27 -76.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 108.266 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -36.66 -65.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -47.22 -50.95 19.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.564 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -52.95 -50.58 63.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -57.43 -56.6 19.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ASN . 3.9 m -52.49 -56.07 17.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.591 HD23 ' HB2' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -48.83 -55.27 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -62.41 -26.1 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.8 tpt85 -81.09 -23.73 38.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -89.39 -42.53 11.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.44 51.98 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.02 -39.73 2.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.754 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.973 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -59.02 137.31 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.17 18.54 62.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.48 ' HB3' HG23 ' A' ' 23' ' ' VAL . 5.3 t80 -48.86 179.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 0.789 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -31.68 -45.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.932 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.84 -66.09 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.969 HG11 HG13 ' A' ' 106' ' ' ILE . 4.6 m -42.63 112.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.94 162.71 14.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 109.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.973 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 24.7 tp -46.11 -44.94 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.95 94.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.0 -38.13 89.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.469 ' CZ3' HD11 ' A' ' 106' ' ' ILE . 87.5 m95 -65.04 -63.09 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 108.026 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.577 HG21 ' CG2' ' A' ' 125' ' ' ILE . 2.8 t -45.53 -55.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.444 ' HB2' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -49.63 -59.88 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.265 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.618 ' CD1' HG23 ' A' ' 106' ' ' ILE . 4.6 tt -51.66 -41.54 61.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.502 ' HB1' ' ND2' ' A' ' 37' ' ' ASN . . . -66.88 -29.12 68.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 34.4 tp60 -72.59 -52.83 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.889 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 0.7 OUTLIER -58.02 -25.82 61.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.612 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.9 mm-40 -75.96 -64.63 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER 159.57 52.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.901 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 39' ' ' ASN . 1.9 t-20 -59.23 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 61.67 -62.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.614 1.196 . . . . 0.0 111.01 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.594 ' N ' ' O ' ' A' ' 37' ' ' ASN . 13.5 m120 -108.34 146.98 32.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.42 HG21 ' CD1' ' A' ' 3' ' ' TYR . 31.5 p -122.75 51.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.436 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -114.5 5.87 15.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.31 93.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.434 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 3.2 p -138.96 125.46 20.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.413 1.071 . . . . 0.0 110.439 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.4 92.28 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.453 ' HA ' HG23 ' A' ' 52' ' ' THR . 54.4 p90 -88.89 159.28 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -162.49 106.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 48' ' ' GLY . 1.1 tpp180 -75.66 -31.08 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.15 -37.35 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.3 t0 -136.97 34.69 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 70' ' ' THR . 7.7 tm0? 34.68 52.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 60.0 p -139.91 121.95 15.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.608 1.192 . . . . 0.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 61' ' ' SER . 2.1 m -117.49 131.24 56.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -108.82 103.37 12.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.619 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -153.21 169.05 23.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.047 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.34 148.07 9.66 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.451 1.094 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.474 ' CG2' ' HB1' ' A' ' 92' ' ' ALA . 0.9 OUTLIER -47.4 -33.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' GLN . 3.5 m-30 -105.5 31.04 5.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 33.97 79.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.7 mt -105.41 142.7 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -87.49 140.27 29.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 52' ' ' THR . 4.5 m -90.7 1.84 56.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.963 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.513 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 6.4 ptm180 -88.62 -4.17 58.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -135.46 -44.74 0.68 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 76' ' ' ALA . 9.9 m-90 -108.93 162.04 14.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.012 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.759 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.6 OUTLIER 60.61 146.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.414 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 6.0 p30 -117.25 170.63 8.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -136.5 -58.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.1 3.25 36.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.84 -16.05 27.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.468 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 1.2 m -145.2 106.06 4.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.82 4.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.801 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 -46.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.2 160.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.571 ' O ' HG22 ' A' ' 74' ' ' VAL . 5.2 p -123.6 54.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -40.12 99.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.447 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . . . -84.38 -10.87 57.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.9 t -92.19 -37.82 12.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.309 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.75 53.94 21.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.759 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -148.51 151.19 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.8 . . . . 0.0 109.331 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 4.6 m120 -61.07 125.6 24.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.437 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 86.1 m -56.48 -36.03 68.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -25.03 19.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.432 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -62.01 -22.96 66.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 5.8 mt -96.65 7.39 46.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.33 19.72 12.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.2 -161.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -71.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.09 153.67 4.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.226 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 3' ' ' TYR . 7.8 pt -99.03 5.65 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.372 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.0 t -44.04 -32.44 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.4 55.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.474 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -62.22 -38.39 89.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.427 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 13.4 mt -73.3 -52.08 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 2.5 tp60 -56.34 -42.7 78.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 99' ' ' VAL . 3.3 t -70.62 -49.31 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 108.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.694 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -47.98 -45.49 31.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -72.01 -44.37 63.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.218 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 3.8 tpt180 -59.95 -24.52 64.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 95' ' ' CYS . 56.4 t -86.34 -55.46 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.075 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 96' ' ' ALA . 84.2 t -56.17 -27.52 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -52.09 -19.73 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.231 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.474 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -80.26 176.68 3.55 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.05 0.37 9.01 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.425 1.75 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.24 -63.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.461 ' HA2' HG13 ' A' ' 100' ' ' VAL . . . 79.6 160.82 21.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.969 HG13 HG11 ' A' ' 23' ' ' VAL . 1.2 mm -42.92 -28.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -40.7 -36.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.359 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.78 -35.85 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.61 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 9.6 m-90 -92.36 68.63 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 107.985 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 10.9 p -43.85 -27.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.889 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -49.33 -48.34 46.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.518 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -53.82 -28.6 36.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 108.027 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.466 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 9.6 ttp85 -69.21 -19.87 63.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -129.05 32.69 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.473 ' CG ' ' CD2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -150.72 -43.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.561 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 28.6 m -88.59 -62.89 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.73 55.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -128.88 -66.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.22 -168.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -85.39 97.35 9.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.862 HD13 ' O ' ' A' ' 121' ' ' LEU . 1.5 tm? -100.36 16.81 23.23 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -25.85 38.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -69.6 -9.74 55.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.574 ' CE2' ' HD2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -77.62 -35.55 52.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.577 ' CG2' HG21 ' A' ' 29' ' ' VAL . 4.3 pt -92.32 -36.49 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 23.5 tpt180 -64.32 102.89 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 162.35 -28.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -25.28 59.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 102.93 27.61 6.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.582 0.813 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.575 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 3.3 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 2' ' ' VAL . 3.2 m-85 -166.04 123.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' ARG . 10.0 pt-20 -103.93 167.4 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -38.85 -58.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -53.09 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.165 . . . . 0.0 108.274 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -35.62 -64.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 110.27 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 6.3 t80 -40.33 -55.99 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.92 -54.58 40.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -48.13 -59.83 3.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASN . 3.5 m -52.99 -56.8 13.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.401 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -45.08 -49.38 11.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -32.15 73.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' THR . 12.5 ttt180 -74.16 -25.83 59.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.57 -40.09 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.24 48.92 0.74 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.21 -39.06 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.584 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -50.62 108.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.04 34.87 25.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' TYR . 55.0 t80 -47.76 176.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -35.84 -46.98 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -124.05 -56.87 0.18 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.421 1.076 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.779 HG11 ' CE2' ' A' ' 28' ' ' TRP . 39.9 t -50.22 124.44 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.431 0.724 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -90.37 146.74 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.584 HD22 ' HB1' ' A' ' 18' ' ' ALA . 11.2 tp -49.04 -45.02 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.86 -45.97 85.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.603 ' HA ' ' CE3' ' A' ' 112' ' ' TRP . 6.0 t0 -63.49 -34.27 77.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.779 ' CE2' HG11 ' A' ' 23' ' ' VAL . 7.5 m95 -64.13 -62.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.879 HG21 HG22 ' A' ' 125' ' ' ILE . 58.2 t -54.42 -59.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.353 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 33' ' ' GLN . 4.4 t -43.33 -57.68 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.957 HD11 ' CE3' ' A' ' 109' ' ' TRP . 3.0 tt -49.48 -48.14 48.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . . . -65.21 -23.76 67.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' VAL . 8.2 tp-100 -76.0 -57.64 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.462 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 34.3 t-80 -57.74 -26.19 61.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.671 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' OE2' ' NE1' ' A' ' 109' ' ' TRP . 8.3 mm-40 -75.3 -59.98 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.7 t -174.69 -63.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' A' ' 39' ' ' ASN . 7.7 t30 65.69 -175.75 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.575 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 16.0 m-85 62.14 -60.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.615 ' N ' ' O ' ' A' ' 37' ' ' ASN . 28.8 t-20 -139.75 154.57 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.729 HG22 HD12 ' A' ' 56' ' ' ILE . 7.7 p -102.03 51.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -82.6 -19.88 37.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 110.272 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 54' ' ' TYR . . . -45.92 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.499 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 6.6 p -138.08 121.11 16.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -140.71 89.59 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.205 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.568 ' HA ' HG23 ' A' ' 52' ' ' THR . 39.4 p90 -89.02 154.17 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -161.73 103.37 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.9 ttt180 -76.02 -31.94 59.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.55 -33.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -137.0 33.47 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HG2' HG21 ' A' ' 70' ' ' THR . 41.9 tp60 35.95 53.47 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.537 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 95.5 p -138.35 140.61 39.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.568 HG23 ' HA ' ' A' ' 45' ' ' TYR . 7.7 m -142.07 129.93 21.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER -112.58 105.92 14.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.699 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.4 p90 -153.79 166.05 34.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.12 152.93 9.46 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.729 HD12 HG22 ' A' ' 40' ' ' THR . 1.6 tt -49.23 -33.12 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.22 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.625 ' CD1' HD22 ' A' ' 31' ' ' LEU . 6.1 m-85 -104.43 21.63 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PHE . 2.4 tt0 38.53 82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.354 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.3 mt -108.1 147.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.4 OUTLIER -90.83 138.26 31.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' THR . 22.9 t -91.03 2.08 56.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.051 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.537 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 3.1 ptm180 -89.28 8.7 29.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -150.32 -48.31 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.434 ' O ' ' O ' ' A' ' 65' ' ' CYS . 20.9 m-90 -109.08 163.63 13.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 107.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.778 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.83 140.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 108.294 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.554 ' ND2' HD22 ' A' ' 75' ' ' ASN . 3.2 p30 -120.54 -178.78 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 24.6 t0 -132.92 -47.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.12 -1.75 54.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -114.67 -5.73 12.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.575 HG21 ' HG2' ' A' ' 50' ' ' GLN . 1.8 m -129.78 90.77 42.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.85 -56.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.45 160.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.655 ' O ' HG22 ' A' ' 74' ' ' VAL . 3.1 p -120.8 52.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.554 HD22 ' ND2' ' A' ' 66' ' ' ASN . 34.2 p-10 -38.09 97.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.175 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -84.28 -12.29 54.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.529 ' SG ' HD12 ' A' ' 79' ' ' ILE . 19.1 t -90.22 -38.01 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 108.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.16 56.32 10.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.778 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -145.64 149.45 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.581 0.812 . . . . 0.0 109.271 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.433 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 12.4 m-20 -57.23 124.5 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.425 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 3.1 m -51.24 -34.75 33.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 108.268 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.507 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -59.7 -25.2 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.77 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -62.29 -15.13 45.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.699 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 17.9 mt -98.73 2.66 47.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.75 11.73 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 82' ' ' SER . 2.0 mm-40 -90.37 -172.33 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.55 -71.28 0.5 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.409 1.068 . . . . 0.0 109.33 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -53.27 126.44 21.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.788 HD11 HD11 ' A' ' 93' ' ' ILE . 2.0 pt -86.43 1.91 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.77 -35.95 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.77 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -75.43 -40.28 57.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -59.66 -40.65 88.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.788 HD11 HD11 ' A' ' 89' ' ' ILE . 7.9 mt -74.95 -52.59 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.488 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 4.4 tp60 -56.23 -43.34 78.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 99' ' ' VAL . 11.1 t -69.85 -53.72 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.347 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -43.6 -48.4 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.546 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 5.1 pttt -72.01 -40.15 68.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.546 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 8.1 tpt180 -63.03 -23.31 67.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 42.9 t -88.71 -57.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.98 -27.37 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -19.34 3.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.5 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -75.52 177.93 2.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.04 1.83 7.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.83 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 83.37 158.59 26.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.773 HD12 HD12 ' A' ' 31' ' ' LEU . 7.8 mm -41.38 -27.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.45 0.735 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 105' ' ' GLY . 7.5 ttt180 -35.28 -34.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 106' ' ' ILE . . . -44.73 -35.73 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.957 ' CE3' HD11 ' A' ' 31' ' ' LEU . 16.0 m-90 -104.62 50.31 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' A' ' 113' ' ' ARG . 12.2 p -42.7 -24.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.474 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -44.44 -49.08 9.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.743 ' CE3' ' CB ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.22 -35.37 73.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 108.085 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -76.07 -9.27 58.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.218 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.01 29.45 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.3 OUTLIER -152.56 -46.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.612 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.891 ' SG ' HD13 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -89.36 -50.27 6.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -63.51 59.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 116' ' ' CYS . 4.9 t30 -156.88 -44.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.51 -170.23 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -96.14 99.41 11.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.891 HD13 ' SG ' ' A' ' 116' ' ' CYS . 0.8 OUTLIER -100.54 17.73 20.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -22.89 56.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 123' ' ' GLN . 8.7 tp60 -72.38 -13.74 61.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -31.0 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.879 HG22 HG21 ' A' ' 29' ' ' VAL . 2.0 pt -99.51 -34.35 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 7.2 tpt180 -82.36 110.36 17.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 160.49 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -24.2 59.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 108.54 33.05 2.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 38' ' ' TYR . 74.3 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.762 ' CZ ' HD13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -158.38 156.88 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.421 ' HA ' ' OD1' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -120.83 -177.78 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.51 -64.75 0.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 7' ' ' GLU . 75.2 m -44.47 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 108.4 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.1 mm-40 -32.26 -65.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.732 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 t80 -44.63 -55.44 5.21 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.423 1.077 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.602 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -49.96 -51.66 39.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.94 -57.54 11.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.1 m -54.55 -54.17 44.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.35 -51.73 18.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HD2' HG11 ' A' ' 130' ' ' VAL . 28.1 tttt -66.17 -29.46 69.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -75.75 -24.74 56.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -89.45 -39.93 13.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.97 45.71 0.74 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.451 ' SD ' ' CD1' ' A' ' 20' ' ' TYR . 48.2 tpp -123.22 -38.35 2.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 0.802 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.605 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -50.13 110.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.72 32.95 23.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.451 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 15.8 t80 -49.22 179.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -36.41 -50.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.16 -60.42 0.2 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.747 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.1 t -49.2 121.39 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.9 t -90.23 147.21 23.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.605 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 16.4 tp -46.08 -45.81 16.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HA ' HG21 ' A' ' 125' ' ' ILE . . . -59.9 -40.2 87.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 5.3 m-20 -65.48 -38.02 88.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.747 ' CE2' HG11 ' A' ' 23' ' ' VAL . 27.7 m95 -63.55 -58.15 7.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.853 HG21 HG22 ' A' ' 125' ' ' ILE . 43.1 t -52.35 -62.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.656 ' CB ' HD23 ' A' ' 121' ' ' LEU . 1.1 p -49.21 -45.45 44.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 108.38 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.537 HD11 ' CG ' ' A' ' 109' ' ' TRP . 33.8 tp -55.53 -54.45 43.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.377 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.26 -18.9 65.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.456 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 29.7 tp60 -72.75 -56.64 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -66.87 -19.44 65.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -78.56 -66.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -158.97 -70.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 2.5 t-20 67.32 172.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.865 ' O ' HG13 ' A' ' 2' ' ' VAL . 9.0 m-85 71.62 -58.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 2' ' ' VAL . 12.0 t-20 -134.2 150.13 51.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 1.06 HG22 HD12 ' A' ' 56' ' ' ILE . 10.4 p -111.21 67.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 43' ' ' THR . 34.3 ttm180 -112.98 -2.19 14.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -40.46 102.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.642 HG21 HD11 ' A' ' 85' ' ' LEU . 9.2 p -146.25 115.38 7.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.21 96.9 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.678 ' HA ' HG23 ' A' ' 52' ' ' THR . 28.8 p90 -87.47 155.6 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -161.6 104.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -31.08 62.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -36.5 -36.3 0.15 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -130.37 32.72 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 49' ' ' ASP . 36.4 tp60 35.09 53.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.548 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 85.8 p -145.1 154.79 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.783 HG22 ' CD1' ' A' ' 54' ' ' TYR . 10.9 m -146.5 130.47 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' HB3' ' NE2' ' A' ' 58' ' ' GLN . 23.1 m-20 -95.91 92.83 6.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.783 ' CD1' HG22 ' A' ' 52' ' ' THR . 3.2 m-85 -122.21 156.33 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.629 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 100.47 144.32 15.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.06 HD12 HG22 ' A' ' 40' ' ' THR . 16.4 tt -51.63 -31.76 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -89.48 21.25 3.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 53' ' ' ASP . 7.5 tp60 38.81 67.36 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.1 mt -93.07 136.42 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.4 m-80 -81.35 131.42 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 6.7 t -83.07 7.23 16.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.548 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 5.0 ptm180 -91.38 11.28 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -151.18 -48.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.073 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CE2' HG22 ' A' ' 99' ' ' VAL . 13.9 m95 -119.88 155.22 33.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.017 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.442 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 61.99 132.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 108.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -161.75 -166.75 1.53 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.411 ' OD2' ' CB ' ' A' ' 69' ' ' LYS . 1.7 t0 -118.58 -53.57 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.26 -2.24 20.67 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' CB ' ' OD2' ' A' ' 67' ' ' ASP . 2.4 tttp -99.25 -8.03 25.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.632 0.842 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.587 ' O ' HG23 ' A' ' 70' ' ' THR . 8.3 t -108.94 103.4 51.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.15 3.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.22 -68.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -173.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -150.54 97.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' ND2' ' H ' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -67.36 63.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -55.41 -17.92 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 1.4 t -88.18 -29.99 20.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.381 1.051 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 79' ' ' ILE . . . 67.04 53.58 25.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -152.6 149.56 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.561 0.8 . . . . 0.0 109.229 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' SER . 2.2 m-20 -75.64 124.28 26.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.813 ' HA ' HD12 ' A' ' 84' ' ' LEU . 71.8 m -45.85 -27.16 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' ASN . 5.6 t -55.57 -39.17 70.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -18.92 27.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -100.24 13.63 33.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 43' ' ' THR . 0.4 OUTLIER -129.86 23.26 5.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -119.74 -168.09 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.3 -62.12 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.44 112.14 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' ALA . 20.3 pt -86.57 2.41 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.82 -36.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.87 -42.32 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.12 -40.03 88.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.2 mt -71.12 -49.6 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.13 -48.84 75.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -68.33 -41.33 80.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.285 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -50.93 -50.68 57.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 13.1 pttt -69.71 -43.77 71.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.486 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -61.62 -23.29 65.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.54 HG22 ' CE2' ' A' ' 64' ' ' TRP . 14.1 t -85.53 -57.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.66 -28.23 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -52.38 -20.15 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.472 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -78.38 176.59 3.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.227 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -74.97 0.96 8.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -66.97 -60.84 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 107' ' ' ARG . . . 76.54 157.8 7.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.621 HG13 HG22 ' A' ' 23' ' ' VAL . 4.3 mm -39.45 -30.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.241 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 105' ' ' GLY . 25.6 ttt180 -40.11 -36.2 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.26 -35.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.537 ' CG ' HD11 ' A' ' 31' ' ' LEU . 25.4 m-90 -97.88 62.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 113' ' ' ARG . 63.3 t -40.26 -30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -44.87 -50.22 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.01 -39.72 75.28 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.49 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -63.12 -15.4 56.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.395 1.06 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.45 30.92 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.84 -47.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.638 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.4 OUTLIER -89.38 -53.41 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.356 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.77 55.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -141.92 -62.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.57 -170.0 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -88.8 100.08 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.656 HD23 ' CB ' ' A' ' 30' ' ' CYS . 13.1 tp -101.03 20.12 16.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -72.4 -25.34 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.13 -12.49 60.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -28.64 56.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.853 HG22 HG21 ' A' ' 29' ' ' VAL . 1.1 pt -106.0 -31.45 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -78.22 131.52 37.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 72.26 22.5 3.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -89.18 -35.76 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 108.346 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 175.75 -33.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.503 HG11 ' HD2' ' A' ' 13' ' ' LYS . 53.2 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.449 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 95.5 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.587 ' O ' ' N ' ' A' ' 38' ' ' TYR . 2.3 m-85 -164.48 102.62 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 5' ' ' ARG . 7.2 pt-20 -109.46 172.32 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.573 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 15.5 ptt-85 -37.07 -56.61 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.0 m -55.54 -80.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 108.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' CYS . 2.1 mm-40 -34.01 -65.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.601 ' CE1' HG21 ' A' ' 56' ' ' ILE . 8.9 t80 -42.83 -49.6 5.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -55.05 39.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' ARG . 18.3 ttt85 -48.42 -55.69 10.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ASN . 12.5 m -53.96 -54.71 35.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.445 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.59 -53.32 11.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -26.09 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 10' ' ' ARG . 57.6 ttt180 -76.74 -24.32 53.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.1 t-20 -89.04 -40.86 12.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.23 50.94 1.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.1 tpt -118.04 -36.46 3.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.573 0.807 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.844 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -62.91 152.47 36.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 85.56 10.76 76.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' GLY . 1.4 t80 -46.94 177.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.76 -55.86 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -122.56 -65.79 0.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 28' ' ' TRP . 4.4 p -45.0 105.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASP . 58.3 p -90.2 161.94 15.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.574 1.171 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.844 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 21.0 tp -43.59 -45.45 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.42 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.55 ' OD1' ' CD1' ' A' ' 112' ' ' TRP . 37.6 t0 -63.17 -39.37 94.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.715 ' CD1' HG22 ' A' ' 23' ' ' VAL . 87.3 m95 -65.87 -59.69 3.6 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.611 HG21 ' CG2' ' A' ' 125' ' ' ILE . 32.4 t -45.6 -56.66 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.53 ' HB3' HD12 ' A' ' 121' ' ' LEU . 5.9 p -57.51 -48.4 79.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 57' ' ' PHE . 2.7 tm? -50.18 -49.68 51.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.646 ' HB2' ' HE1' ' A' ' 57' ' ' PHE . . . -76.22 -20.1 57.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.583 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 4.5 tm0? -66.64 -53.18 36.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.624 ' CG ' ' HB1' ' A' ' 111' ' ' ALA . 3.5 t60 -56.3 -21.71 25.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.2 mm-40 -81.78 -62.52 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER 157.63 72.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.04 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.576 ' CG ' ' O ' ' A' ' 37' ' ' ASN . 5.4 p30 -71.96 107.18 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CZ ' ' HB2' ' A' ' 39' ' ' ASN . 2.5 p90 174.92 -33.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.639 ' HB2' ' CZ ' ' A' ' 38' ' ' TYR . 3.3 m120 -150.38 160.71 43.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.464 ' O ' ' OG1' ' A' ' 40' ' ' THR . 0.7 OUTLIER -119.84 44.7 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 43' ' ' THR . 14.7 ttt180 -114.8 -20.74 10.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' ARG . . . -38.86 106.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.988 HG22 ' HB2' ' A' ' 54' ' ' TYR . 4.8 p -138.54 146.86 42.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.8 m120 -151.39 93.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.423 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 46.5 p90 -92.08 162.51 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -162.47 104.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . 13.9 ttt180 -76.97 -29.58 55.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -32.79 -36.81 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' ARG . 11.1 t0 -139.0 35.13 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.2 tp-100 34.96 55.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.547 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 97.0 p -143.91 110.0 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.567 HG21 ' CE2' ' A' ' 54' ' ' TYR . 1.2 m -105.88 164.22 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -152.0 114.72 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.988 ' HB2' HG22 ' A' ' 43' ' ' THR . 0.1 OUTLIER -152.02 176.73 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.63 156.64 23.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.601 HG21 ' CE1' ' A' ' 8' ' ' PHE . 1.2 mm -47.29 -45.84 9.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.548 0.793 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.646 ' HE1' ' HB2' ' A' ' 32' ' ' ALA . 33.2 m-85 -89.48 16.93 6.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 40.4 71.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 10.6 mt -88.21 143.97 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.436 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 11.4 t-20 -86.6 139.12 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.431 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -92.66 -0.54 57.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.65 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 13.8 ttt-85 -88.76 -29.83 19.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -106.65 -65.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 111.033 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.481 ' O ' ' C ' ' A' ' 65' ' ' CYS . 26.7 m-90 -69.51 -125.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.58 1.175 . . . . 0.0 107.933 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -36.11 150.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.435 ' CG ' ' HB3' ' A' ' 75' ' ' ASN . 1.9 m-20 -135.1 179.25 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -108.46 -56.74 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.17 -4.56 26.94 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -95.99 -10.04 29.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 0.736 . . . . 0.0 109.237 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 70' ' ' THR . 3.4 t -130.27 92.16 36.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.38 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 55.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.42 -46.35 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.65 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -57.82 -164.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 63' ' ' TYR . 3.1 p -150.25 84.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.379 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 38.7 p-10 -55.7 99.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.56 -21.85 41.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.39 -32.78 16.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.41 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.23 57.68 10.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.41 ' CG2' ' C ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER -148.86 162.24 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.03 130.4 40.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 61' ' ' SER . 1.3 m -63.4 -37.42 87.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -26.58 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.465 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -63.06 -26.4 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.587 ' N ' HD23 ' A' ' 84' ' ' LEU . 3.3 mt -91.89 6.95 44.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.252 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.01 24.81 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.61 -164.55 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -60.94 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.38 161.99 15.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 92' ' ' ALA . 3.5 pt -103.02 6.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -43.76 -34.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.5 -40.25 67.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -64.62 -37.72 88.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 12.7 mt -71.87 -48.99 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -55.38 -49.23 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.676 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.6 t -68.27 -44.18 76.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.415 1.072 . . . . 0.0 108.288 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -51.44 -50.02 60.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -68.63 -40.76 80.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.395 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.53 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 2.0 tpt180 -66.22 -20.57 66.16 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 95' ' ' CYS . 42.7 t -86.83 -54.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.603 HG22 HG12 ' A' ' 106' ' ' ILE . 70.2 t -58.76 -34.84 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -67.4 -15.4 63.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.527 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -83.67 179.13 2.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.527 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.91 3.8 5.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -78.02 -62.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 75.9 149.84 2.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.696 HD13 ' CZ3' ' A' ' 109' ' ' TRP . 2.6 mm -42.31 -28.59 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.218 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 105' ' ' GLY . 3.8 ttt180 -39.75 -36.3 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.367 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.8 -35.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.696 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 12.2 m-90 -96.87 65.82 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 108.028 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 113' ' ' ARG . 8.7 p -40.33 -29.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.624 ' HB1' ' CG ' ' A' ' 34' ' ' HIS . . . -43.78 -51.17 7.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.55 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -55.61 -40.61 72.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 107.983 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 110' ' ' VAL . 18.4 ttt85 -61.0 -14.47 23.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.34 33.84 4.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -150.61 -45.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.478 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.0 -54.18 4.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.307 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 56.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -148.16 -58.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.42 -169.75 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.15 101.54 14.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.895 HD13 ' O ' ' A' ' 121' ' ' LEU . 1.9 tm? -90.72 9.84 28.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -23.57 53.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -69.31 -13.69 62.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -77.42 -33.25 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.611 ' CG2' HG21 ' A' ' 29' ' ' VAL . 7.7 pt -92.7 -35.79 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.7 OUTLIER -60.19 109.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 51.9 t30 81.6 25.22 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -93.57 -34.79 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 171.72 -33.08 0.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.245 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 38' ' ' TYR . 11.5 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 38' ' ' TYR . 33.2 m-85 -134.69 116.25 14.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.84 169.34 8.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 -68.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -45.38 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 108.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -35.01 -66.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.345 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.452 ' CD1' HD13 ' A' ' 12' ' ' LEU . 3.7 t80 -41.85 -49.62 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.19 -56.04 27.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -50.0 -57.13 8.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.0 m -51.03 -53.8 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.705 HD21 ' CD1' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -48.85 -57.36 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -63.39 -23.53 67.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 10' ' ' ARG . 5.8 tpt180 -80.03 -25.14 40.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.1 t30 -89.14 -43.38 11.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.46 40.75 0.84 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' A' ' 20' ' ' TYR . 32.8 tpp -121.1 -37.46 2.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 0.819 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.036 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -43.16 105.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 97.6 31.5 6.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.599 1.187 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 4.4 t80 -44.22 174.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.63 -32.48 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.52 1.137 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -150.02 -43.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.657 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 27.9 t -67.11 114.69 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.87 156.19 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 0.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.036 HD22 ' HB1' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -54.86 -37.08 65.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.07 -53.73 53.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.701 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -64.31 -35.22 80.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.705 ' CD1' HD21 ' A' ' 12' ' ' LEU . 9.6 m95 -57.26 -53.63 55.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 107.982 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' GLN . 87.0 t -60.98 -54.75 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -51.15 -45.64 61.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.73 HD11 ' CD2' ' A' ' 109' ' ' TRP . 13.5 tp -60.86 -60.98 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.1 -27.64 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 38' ' ' TYR . 16.0 tp60 -69.61 -54.23 14.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.776 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 3.3 t60 -55.68 -26.32 44.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.647 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 5.5 mm-40 -80.65 -64.59 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.44 -67.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.633 ' HA ' HD11 ' A' ' 56' ' ' ILE . 18.1 t30 57.58 -164.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.635 ' CE2' ' NE2' ' A' ' 33' ' ' GLN . 33.5 m-85 62.81 -61.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -135.24 127.98 31.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.491 HG22 HD12 ' A' ' 56' ' ' ILE . 53.3 p -69.68 57.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -109.4 2.75 20.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -54.25 98.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 1.007 HG22 ' CD2' ' A' ' 54' ' ' TYR . 3.0 p -148.53 123.97 10.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -150.5 100.53 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.405 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 45.4 p90 -88.8 154.21 20.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -161.34 105.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -30.92 56.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.82 -44.15 1.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -121.67 30.56 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 0.728 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' ASP . 52.3 tp60 36.66 47.42 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 p -135.07 150.6 50.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.648 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.7 m -142.84 132.43 23.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -103.31 99.34 9.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 1.007 ' CD2' HG22 ' A' ' 43' ' ' THR . 4.5 m-85 -128.0 158.82 36.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 101.61 148.15 21.04 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 37' ' ' ASN . 9.4 tt -51.64 -33.13 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . 18.3 m-85 -91.69 20.3 5.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' GLY . 2.0 tp60 39.04 66.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.5 mt -89.26 137.1 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 p-10 -81.0 132.3 35.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.408 1.068 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.1 t -90.39 14.85 11.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -19.32 26.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . 1.7 m-85 -134.53 -47.96 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CE2' HG13 ' A' ' 99' ' ' VAL . 6.2 m0 -93.57 159.66 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.664 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.7 OUTLIER 52.33 177.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -151.69 -169.49 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -129.19 -50.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.96 -0.0 10.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -145.36 35.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 70' ' ' THR . 3.2 t -132.64 83.21 54.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 53.66 3.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -150.47 -50.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.99 160.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.612 ' O ' HG22 ' A' ' 74' ' ' VAL . 5.2 p -120.72 49.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' VAL . 38.0 p-10 -37.38 101.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB3' ' HD1' ' A' ' 64' ' ' TRP . . . -81.91 -19.82 40.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.637 1.21 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.633 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.0 t -88.94 -32.5 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.452 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.21 50.92 54.31 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.538 1.149 . . . . 0.0 111.066 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -151.14 145.08 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -64.19 124.91 22.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.837 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -51.58 -25.72 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -33.07 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.955 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.92 43.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 81' ' ' CYS . 2.2 mt -100.35 2.41 42.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.748 HD11 HG23 ' A' ' 43' ' ' THR . 0.4 OUTLIER -115.41 20.33 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -95.33 -163.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -87.23 -50.74 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -73.4 118.4 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ALA . 18.2 pt -82.21 2.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -43.24 -40.73 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.85 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.588 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.31 -39.33 92.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.171 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 15.7 mt -73.81 -51.75 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.427 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 20.3 tt0 -55.69 -43.09 76.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.3 t -73.03 -43.41 62.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -53.22 -40.03 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 11.1 ptmt -77.87 -44.29 27.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.48 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.1 tpt85 -59.45 -26.58 65.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.491 HG13 ' CE2' ' A' ' 64' ' ' TRP . 44.1 t -89.91 -56.1 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.395 1.06 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 102' ' ' ASP . 3.3 t -52.36 -28.49 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -45.29 -23.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -67.6 176.69 1.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -74.95 -26.83 10.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -87.93 -63.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.431 ' CA ' ' HA ' ' A' ' 100' ' ' VAL . . . 46.67 -116.51 2.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.68 HG23 ' CE3' ' A' ' 112' ' ' TRP . 8.1 mm -43.64 -42.3 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.49 -32.11 3.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.93 -34.09 58.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.73 ' CD2' HD11 ' A' ' 31' ' ' LEU . 6.3 m-90 -98.82 62.73 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 108.024 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 109' ' ' TRP . 7.9 p -39.17 -35.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.776 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -39.51 -52.4 2.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.701 ' CZ2' ' HB3' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -48.29 -59.76 3.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 1.183 . . . . 0.0 107.945 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.53 -18.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 111' ' ' ALA . . . -127.39 34.5 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 16.7 t60 -150.82 -55.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.583 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -87.51 -52.26 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.22 57.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' CYS . 3.8 t30 -149.35 -50.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.42 -170.49 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -91.22 104.1 16.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.959 HD13 ' O ' ' A' ' 121' ' ' LEU . 2.1 tm? -89.3 13.45 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 t -79.38 -16.5 56.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.7 -12.64 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.203 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.64 -38.62 25.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.8 pt -88.75 -38.74 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.422 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 5.4 tpt180 -63.31 99.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER 161.71 -27.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -24.36 60.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 101.03 28.73 6.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.801 ' CD1' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -145.8 135.52 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.981 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.52 160.39 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.83 -65.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.525 ' O ' ' C ' ' A' ' 7' ' ' GLU . 78.3 m -45.52 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 108.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -28.92 -68.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.843 ' CE1' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -44.67 -53.49 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . -50.6 -51.73 45.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -57.57 -52.51 65.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ASN . 11.4 m -57.59 -55.56 33.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.752 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -48.82 -50.26 35.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -65.25 -31.07 72.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -76.94 -23.27 52.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.1 t-20 -88.61 -40.23 13.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.2 65.74 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.105 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.3 tpp -149.38 -42.25 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 111.082 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.946 ' HB1' HD13 ' A' ' 25' ' ' LEU . . . -55.45 118.19 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.4 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.6 26.64 41.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.598 1.186 . . . . 0.0 111.061 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 21' ' ' TYR . 27.0 t80 -48.55 178.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -36.14 -53.09 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -116.65 -57.86 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.713 HG11 ' CE2' ' A' ' 28' ' ' TRP . 5.3 t -47.2 120.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 0.768 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -90.12 141.75 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.946 HD13 ' HB1' ' A' ' 18' ' ' ALA . 14.9 tp -43.94 -43.08 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.76 97.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.641 ' OD2' HG21 ' A' ' 106' ' ' ILE . 57.2 t0 -64.3 -39.17 93.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.713 ' CE2' HG11 ' A' ' 23' ' ' VAL . 28.5 m95 -61.3 -59.61 5.02 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 25' ' ' LEU . 38.5 t -57.53 -59.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.443 ' SG ' HD22 ' A' ' 121' ' ' LEU . 13.9 t -46.78 -56.74 5.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 108.299 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.823 HD13 HD12 ' A' ' 106' ' ' ILE . 5.3 tt -47.9 -52.37 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -63.83 -24.04 67.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' VAL . 2.0 tt0 -70.89 -53.73 14.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -64.16 -24.2 67.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -75.87 -63.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -154.9 -71.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.055 . . . . 0.0 110.051 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.666 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . 3.4 t30 60.67 166.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.578 ' O ' HG22 ' A' ' 2' ' ' VAL . 1.7 m-85 64.55 -60.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 37' ' ' ASN . 9.1 m120 -112.73 146.51 38.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.53 HG22 HD11 ' A' ' 56' ' ' ILE . 1.5 p -121.89 52.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.466 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -119.01 8.32 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.09 107.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 54' ' ' TYR . 0.8 OUTLIER -143.02 130.19 20.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.0 m-80 -150.28 91.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.748 ' HA ' HG23 ' A' ' 52' ' ' THR . 34.3 p90 -88.47 155.81 19.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -159.2 104.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -78.11 -30.77 49.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.82 -36.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -135.15 33.86 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' ASP . 38.8 tp60 34.32 55.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.529 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 19.5 p -144.1 103.75 4.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.748 HG23 ' HA ' ' A' ' 45' ' ' TYR . 20.2 m -98.96 128.58 45.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.1 m-20 -110.23 106.2 15.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.699 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.6 p90 -153.5 166.15 33.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.18 152.06 9.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.53 HD11 HG22 ' A' ' 40' ' ' THR . 0.2 OUTLIER -51.23 -29.18 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -105.01 16.67 25.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 41.82 84.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.75 146.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' A' ' 52' ' ' THR . 2.7 t-20 -91.84 142.28 27.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' THR . 29.7 t -91.63 4.79 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.529 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.07 -11.28 44.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -131.4 -42.95 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.919 ' CD1' HG22 ' A' ' 99' ' ' VAL . 30.1 m-90 -108.67 166.32 10.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.814 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 57.86 160.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.345 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -145.83 -169.28 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -133.2 -56.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.48 -0.1 30.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -120.92 5.29 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 70' ' ' THR . 14.5 t -146.67 91.89 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.85 5.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.52 -50.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.57 146.31 49.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 74' ' ' VAL . 7.4 p -104.85 58.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -40.28 98.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.95 -13.71 57.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.475 ' HB3' HD12 ' A' ' 79' ' ' ILE . 3.3 t -90.53 -35.23 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.7 54.91 16.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.814 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -147.04 155.95 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.664 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 2.2 m-80 -63.36 130.7 45.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.443 ' CA ' ' OH ' ' A' ' 54' ' ' TYR . 22.0 m -55.43 -45.19 76.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -21.94 12.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -63.28 -22.6 66.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.699 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 75.0 mt -96.75 12.05 33.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.51 28.4 4.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.92 -163.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -64.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.13 155.52 38.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 8' ' ' PHE . 22.6 pt -95.73 7.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.11 -39.92 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.76 -37.92 67.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.62 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.11 -37.15 84.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 14.1 mt -75.34 -54.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 11.9 tm0? -54.9 -45.13 74.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' VAL . 7.2 t -69.41 -53.11 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -43.89 -45.1 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 1.3 pttt -74.25 -41.25 61.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.5 tpt180 -62.92 -23.58 67.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.919 HG22 ' CD1' ' A' ' 64' ' ' TRP . 39.5 t -89.0 -58.21 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.723 HG21 HG12 ' A' ' 106' ' ' ILE . 0.3 OUTLIER -53.26 -31.89 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 101' ' ' ARG . 1.0 OUTLIER -44.95 -28.25 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 110.321 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.482 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -53.3 177.54 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.04 -25.86 11.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.444 ' CG ' ' HB3' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -52.63 -92.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.462 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 125.45 163.54 11.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.823 HD12 HD13 ' A' ' 31' ' ' LEU . 2.2 mm -39.7 -29.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 105' ' ' GLY . 1.7 tmm_? -37.73 -37.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.575 ' CE3' HD13 ' A' ' 106' ' ' ILE . 24.7 m-90 -95.85 49.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 108.004 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' ARG . 9.5 p -39.46 -29.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' TRP . . . -40.64 -51.27 3.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.687 ' CE3' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.64 -47.22 82.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 108.027 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -68.46 -7.41 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.0 32.01 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.6 OUTLIER -151.76 -51.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.648 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.832 ' SG ' HD22 ' A' ' 121' ' ' LEU . 1.3 m -89.19 -55.89 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 108.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 116' ' ' CYS . 2.1 tp60 -35.3 -32.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 116' ' ' CYS . 15.7 t30 -50.93 -53.92 28.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 116' ' ' CYS . 1.0 OUTLIER -130.23 -168.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -95.51 102.75 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.832 HD22 ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -97.02 18.57 14.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.0 m -68.98 -17.95 64.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -76.27 -8.53 57.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -75.28 -27.97 59.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.722 HG21 ' HG ' ' A' ' 25' ' ' LEU . 1.7 pt -103.96 -29.0 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 1.4 tpt180 -71.6 119.74 16.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 48.4 t30 82.26 26.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -98.65 -31.21 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 114.86 36.35 1.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.317 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.0 t . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.824 ' OH ' HG21 ' A' ' 11' ' ' THR . 0.3 OUTLIER -127.53 106.28 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 5' ' ' ARG . 10.5 pt-20 -100.9 165.61 11.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.53 1.144 . . . . 0.0 110.238 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.541 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -37.52 -57.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.7 m -55.08 -80.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -33.52 -64.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.38 1.05 . . . . 0.0 110.281 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.524 ' CE2' ' CB ' ' A' ' 32' ' ' ALA . 10.2 t80 -45.03 -50.28 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -56.47 -51.78 67.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' HB2' HG22 ' A' ' 130' ' ' VAL . 29.4 ttp180 -51.48 -55.1 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.824 HG21 ' OH ' ' A' ' 3' ' ' TYR . 19.8 m -55.88 -56.39 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.437 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.46 -51.74 11.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -69.33 -26.31 64.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.5 tpt85 -74.28 -25.83 59.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -89.64 -39.93 12.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.61 43.94 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.61 -38.04 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 110.993 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.949 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -49.2 105.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 87.43 34.93 9.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.411 1.069 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 21' ' ' TYR . 44.0 t80 -48.31 179.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 0.79 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.508 ' HB2' ' CD2' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -32.0 -54.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.03 -65.11 0.27 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.616 HG11 ' CE2' ' A' ' 28' ' ' TRP . 23.3 t -40.6 129.23 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.29 156.62 18.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.949 HD13 ' CB ' ' A' ' 18' ' ' ALA . 33.8 tp -61.46 -46.3 90.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -55.78 -46.8 77.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.419 1.074 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.609 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 25.8 m-20 -66.83 -35.87 81.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.182 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.616 ' CE2' HG11 ' A' ' 23' ' ' VAL . 2.2 m95 -58.79 -50.18 74.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.637 HG21 HG22 ' A' ' 125' ' ' ILE . 6.7 t -63.0 -59.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.627 ' HB2' HD23 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -48.83 -49.75 37.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.247 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.893 HD11 ' CG ' ' A' ' 109' ' ' TRP . 25.3 tp -53.11 -54.2 39.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.524 ' CB ' ' CE2' ' A' ' 8' ' ' PHE . . . -60.52 -27.23 67.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.52 -54.37 17.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.616 1.198 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.427 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 21.2 t-80 -61.2 -22.77 65.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.1 -59.26 2.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.1 t -170.5 -65.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.555 ' HA ' HD11 ' A' ' 56' ' ' ILE . 21.0 t30 46.12 -159.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.7 m-85 58.58 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.066 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.2 m120 -108.86 140.21 42.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.8 p -91.38 51.42 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 0.0 110.412 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -123.1 17.6 9.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.502 ' HB3' ' C ' ' A' ' 55' ' ' GLY . . . -54.93 93.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.915 HG22 ' CD2' ' A' ' 54' ' ' TYR . 3.1 p -145.76 116.24 7.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -150.58 101.25 2.93 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.416 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 25.3 p90 -87.9 160.94 17.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -159.18 103.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -72.4 -32.75 66.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.34 -34.95 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -137.16 34.71 2.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 tp60 36.37 40.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 45.1 p -122.78 151.71 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.565 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.2 m -143.82 130.83 20.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.439 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -100.9 97.28 7.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.915 ' CD2' HG22 ' A' ' 43' ' ' THR . 3.2 m-85 -125.39 160.18 30.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.502 ' C ' ' HB3' ' A' ' 42' ' ' ALA . . . 96.41 143.89 15.8 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.53 1.143 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 37' ' ' ASN . 11.9 tt -51.05 -29.75 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' GLN . 26.7 m-85 -89.71 20.32 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 37.46 64.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 mt -91.16 137.0 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.0 OUTLIER -81.67 137.45 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 52' ' ' THR . 1.5 m -91.26 4.34 52.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.489 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.61 -4.28 58.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.34 -54.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.602 ' CD1' HG22 ' A' ' 99' ' ' VAL . 11.7 m-90 -105.18 134.79 47.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 107.958 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.506 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 63.15 133.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 108.337 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.653 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -161.22 -171.03 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.653 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 6.2 t70 94.83 -10.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.5 -2.42 34.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -150.99 -68.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 13.7 t -149.99 137.26 11.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.482 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 70' ' ' THR . 18.4 Cg_endo -74.95 58.53 4.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 73' ' ' ALA . 9.4 ttt85 -110.49 -39.61 4.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.577 ' HB3' ' OD1' ' A' ' 66' ' ' ASN . . . -52.63 -174.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.24 73.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -55.33 100.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . . . -76.69 -20.29 56.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.375 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.596 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.4 t -91.63 -29.71 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.441 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.8 53.09 32.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 77' ' ' CYS . 0.1 OUTLIER -150.58 164.83 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.474 0.75 . . . . 0.0 109.307 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.39 127.9 34.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.5 ' HA ' HD12 ' A' ' 84' ' ' LEU . 77.5 m -51.98 -31.05 27.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 108.313 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 p -53.02 -36.5 60.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.43 -28.78 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 81' ' ' CYS . 0.9 OUTLIER -98.37 10.61 40.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -115.82 26.88 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -118.06 -167.29 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -78.53 -64.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -53.46 116.33 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ALA . 37.5 pt -81.76 2.57 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -43.15 -35.66 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.21 -42.0 60.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.05 -40.67 90.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 7.9 mt -72.54 -50.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 1.4 tm0? -56.28 -45.12 80.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.618 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.8 t -70.0 -42.83 72.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 108.253 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -52.75 -46.05 67.31 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -71.2 -44.91 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -62.23 -22.69 66.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 95' ' ' CYS . 39.9 t -85.65 -56.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -31.23 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -25.8 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.492 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.1 177.49 1.72 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.05 0.37 9.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -66.14 -61.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.458 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 76.16 160.06 9.48 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.581 1.176 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.749 HG21 ' CZ3' ' A' ' 112' ' ' TRP . 1.4 mm -39.64 -29.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 0.722 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -41.74 -38.37 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.221 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.4 -37.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.893 ' CG ' HD11 ' A' ' 31' ' ' LEU . 32.4 m-90 -92.12 56.19 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.047 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 109' ' ' TRP . 5.4 p -34.66 -36.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -42.04 -56.74 2.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.749 ' CZ3' HG21 ' A' ' 106' ' ' ILE . 0.9 OUTLIER -51.01 -58.32 6.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -50.03 -18.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 112' ' ' TRP . . . -129.12 34.75 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 3.7 t-80 -151.04 -54.59 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.651 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.593 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -87.37 -48.62 7.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 108.338 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -69.47 57.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' CYS . 5.7 t-20 -147.73 -54.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.09 -170.4 2.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -95.36 100.3 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 124' ' ' TYR . 6.6 tp -101.24 21.05 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.6 m -73.11 -28.25 62.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.62 -10.96 56.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.664 ' CD1' HD11 ' A' ' 121' ' ' LEU . 1.1 t80 -76.86 -27.1 54.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.637 HD13 HD23 ' A' ' 25' ' ' LEU . 1.4 pp -112.89 -33.06 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -76.33 119.28 20.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 4.2 t-20 80.23 26.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -83.99 -28.1 27.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 114.23 35.15 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.43 HG22 ' HB2' ' A' ' 10' ' ' ARG . 22.4 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 2' ' ' VAL . 13.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 38' ' ' TYR . 47.1 m-85 -137.61 130.7 30.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 5' ' ' ARG . 15.9 pt-20 -121.23 175.65 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.267 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -32.74 -61.26 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -51.29 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.248 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -33.63 -66.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.496 ' CZ ' ' CZ ' ' A' ' 57' ' ' PHE . 0.3 OUTLIER -39.03 -50.58 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.527 ' HB2' ' CG2' ' A' ' 29' ' ' VAL . . . -60.79 -56.14 24.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -48.05 -57.22 6.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 15' ' ' ASN . 8.1 m -53.37 -52.29 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.461 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.46 -53.88 12.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -66.17 -27.74 68.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -76.5 -25.37 54.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -89.15 -42.27 11.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.5 43.01 2.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.43 ' CE ' ' CZ2' ' A' ' 28' ' ' TRP . 1.4 tmm? -111.62 -31.31 7.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 0.753 . . . . 0.0 111.061 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -67.28 150.73 48.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 85.05 12.4 74.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' GLY . 1.8 t80 -46.33 176.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.09 -56.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -119.31 -66.28 0.29 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.609 HG22 ' CD1' ' A' ' 28' ' ' TRP . 6.1 p -45.53 110.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.6 m -91.22 164.8 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.073 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.882 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 31.6 tp -49.48 -43.94 45.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.62 98.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 49.1 m-20 -62.4 -40.24 95.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CD1' HG22 ' A' ' 23' ' ' VAL . 73.8 m95 -64.98 -61.17 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.846 HG21 HG22 ' A' ' 125' ' ' ILE . 85.2 t -50.27 -58.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.861 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -51.94 -42.68 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 108.329 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.922 HD22 HD12 ' A' ' 106' ' ' ILE . 9.8 tp -59.62 -59.52 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -59.37 -22.49 61.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.4 OUTLIER -71.83 -55.87 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.91 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.1 t-80 -60.89 -24.64 66.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.569 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.5 mm-40 -72.56 -63.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.68 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 1.3 m 155.05 69.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.937 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.783 ' O ' ' HB3' ' A' ' 38' ' ' TYR . 3.2 p-10 -61.74 136.28 57.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.783 ' HB3' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER 154.7 -124.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.568 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -92.63 139.56 30.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.4 p -70.74 53.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -100.68 0.46 39.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -53.53 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 1.002 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.3 p -142.39 119.91 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -150.16 97.28 2.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.684 ' HA ' HG23 ' A' ' 52' ' ' THR . 50.1 p90 -87.99 160.46 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' SER . 78.5 m-20 -162.05 105.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -34.95 63.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -39.77 -40.04 1.48 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -119.97 31.17 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' ASP . 16.1 pt20 31.87 47.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.496 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 54.1 m -142.25 154.3 44.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.76 HG22 ' CD1' ' A' ' 54' ' ' TYR . 6.2 m -142.07 132.02 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.46 96.35 7.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 1.002 ' CD2' HG22 ' A' ' 43' ' ' THR . 3.9 m-85 -125.33 159.33 32.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.599 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 103.69 151.56 22.4 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 tt -54.27 -38.11 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.496 ' CZ ' ' CZ ' ' A' ' 8' ' ' PHE . 19.1 m-85 -89.21 23.65 2.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 38.8 67.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.7 mt -93.01 138.76 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.8 OUTLIER -79.6 128.0 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 10.4 m -88.05 15.19 7.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 110.016 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.496 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.24 -11.28 44.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.6 t80 -139.76 -47.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.592 1.183 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.443 ' CD1' HG22 ' A' ' 99' ' ' VAL . 8.3 m-90 -93.75 143.95 25.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 108.01 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 58.17 160.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 1.4 m-20 -146.36 -172.27 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -138.07 -55.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.05 -3.11 14.41 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.73 -19.98 22.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.753 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 70' ' ' THR . 1.4 t -124.82 94.76 43.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 57.94 4.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.18 -45.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.83 176.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.552 ' O ' HG22 ' A' ' 74' ' ' VAL . 2.6 p -142.86 64.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 9.2 p-10 -40.3 99.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' TYR . . . -75.49 -20.76 58.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.424 ' SG ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -89.27 -26.11 21.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.28 45.44 96.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.424 HD13 ' SG ' ' A' ' 77' ' ' CYS . 0.0 OUTLIER -138.17 153.56 26.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 83' ' ' ALA . 11.0 p-10 -69.16 119.02 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.766 ' HA ' HD12 ' A' ' 84' ' ' LEU . 33.2 m -46.83 -28.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.317 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -37.41 71.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 80' ' ' ASN . . . -57.85 -20.98 40.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.766 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.4 mt -94.15 6.53 48.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.683 HD11 HG23 ' A' ' 43' ' ' THR . 0.1 OUTLIER -136.74 34.75 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -113.22 -157.32 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 110.376 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -59.11 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -71.88 118.52 14.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 92' ' ' ALA . 15.4 pt -81.1 1.79 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.4 t -40.96 -36.84 0.71 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.575 1.172 . . . . 0.0 110.448 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.59 -43.77 53.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.641 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.02 -37.86 80.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.474 HD11 HD11 ' A' ' 89' ' ' ILE . 10.6 mt -73.76 -52.15 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.465 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 1.5 tt0 -57.29 -45.9 83.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.9 t -68.64 -45.43 71.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 108.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.36 -51.33 35.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 7.9 pttt -69.86 -40.49 75.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.503 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 18.6 ttt180 -62.83 -22.34 66.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 24.1 t -88.81 -57.63 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.446 HG22 ' HZ3' ' A' ' 109' ' ' TRP . 77.4 t -58.72 -24.76 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 101' ' ' ARG . 5.0 mtp-105 -60.53 -13.15 12.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -61.25 169.77 2.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 49.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.31 -86.6 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 107' ' ' ARG . . . 127.11 168.05 12.45 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.922 HD12 HD22 ' A' ' 31' ' ' LEU . 2.4 mm -39.91 -29.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 106' ' ' ILE . 3.9 tmt_? -33.77 -36.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 106' ' ' ILE . . . -40.24 -37.09 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.492 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 24.1 m-90 -96.14 65.58 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.026 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 113' ' ' ARG . 73.7 t -40.1 -30.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.91 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -45.27 -49.52 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.486 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -57.49 -39.0 75.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 108.051 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.486 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 32.2 ttt-85 -61.7 -15.31 39.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.85 31.49 5.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.52 -46.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.447 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.78 -53.39 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -71.24 56.98 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -146.84 -60.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 -169.91 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -93.17 101.32 13.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.861 HD22 ' HB3' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -96.3 15.19 21.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.21 -24.88 61.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -69.65 -13.21 62.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.528 ' CE2' ' HG3' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -77.55 -30.82 52.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.846 HG22 HG21 ' A' ' 29' ' ' VAL . 23.2 pt -89.7 -41.19 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -72.62 101.26 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.0 OUTLIER 160.67 -25.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.381 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -25.81 62.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.62 30.82 3.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.368 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 52.0 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.85 ' CE1' ' CG ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -151.73 139.5 19.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 5' ' ' ARG . 12.4 pt-20 -111.66 160.78 16.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -35.26 -59.15 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 7' ' ' GLU . 79.7 m -50.35 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.6 mm-40 -30.67 -66.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.359 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.85 ' CG ' ' CE1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -44.36 -53.68 6.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.69 51.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -54.46 -59.15 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 15' ' ' ASN . 20.1 m -52.04 -55.22 22.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.098 . . . . 0.0 110.362 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -54.08 10.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -64.51 -27.47 68.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -78.47 -22.42 47.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 11' ' ' THR . 7.7 t30 -88.95 -40.39 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.54 38.76 1.06 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.543 ' HE2' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -120.17 -35.49 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.851 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -52.1 102.24 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 90.29 34.98 7.72 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.543 ' CD1' ' HE2' ' A' ' 17' ' ' MET . 25.9 t80 -47.49 177.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.35 -59.33 0.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.401 1.063 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.44 -63.72 0.49 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.784 HG11 ' CE2' ' A' ' 28' ' ' TRP . 12.6 t -45.58 125.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 t -90.25 144.09 26.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.165 . . . . 0.0 110.014 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.851 HD13 ' CB ' ' A' ' 18' ' ' ALA . 15.9 tp -45.85 -44.53 14.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.33 89.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 61.2 m-20 -64.7 -37.78 88.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.784 ' CE2' HG11 ' A' ' 23' ' ' VAL . 25.3 m95 -63.94 -60.31 3.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' GLN . 17.3 t -52.4 -60.33 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.962 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -48.98 -45.46 42.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.338 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.615 HD22 ' CD1' ' A' ' 106' ' ' ILE . 18.5 tp -58.13 -66.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.704 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.34 -27.5 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' HA ' ' HB2' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -68.74 -52.77 27.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.495 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 0.6 OUTLIER -73.11 -20.21 60.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.59 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' A' ' 109' ' ' TRP . 4.2 mm-40 -73.59 -61.91 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.427 ' OG ' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -153.75 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.598 ' OD1' ' CE1' ' A' ' 3' ' ' TYR . 14.4 t-20 71.63 170.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 3' ' ' TYR . 55.3 m-85 60.57 -115.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -87.18 131.5 34.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 1.008 HG22 HD13 ' A' ' 56' ' ' ILE . 17.8 p -82.77 60.77 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' THR . 2.3 ttt-85 -92.29 -5.23 52.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.427 ' HB2' ' OG ' ' A' ' 36' ' ' SER . . . -50.42 93.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 54' ' ' TYR . 11.6 p -139.84 135.75 33.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.13 99.02 2.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.409 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 39.3 p90 -88.94 149.32 23.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 51' ' ' SER . 79.0 m-20 -161.39 100.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -77.72 -30.34 51.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 110.388 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.94 -33.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.3 t0 -135.49 33.39 3.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 0.757 . . . . 0.0 109.377 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER 35.53 51.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.53 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 50.0 p -138.54 147.82 43.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 60' ' ' ASN . 1.2 m -139.82 133.22 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.88 101.59 10.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.668 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -153.55 166.01 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 110.987 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.59 159.18 10.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.564 1.165 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.008 HD13 HG22 ' A' ' 40' ' ' THR . 10.7 tp -51.97 -35.79 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.659 ' CD2' HG23 ' A' ' 56' ' ' ILE . 63.1 m-85 -109.69 26.35 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 42.09 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.1 mt -118.44 152.05 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.7 OUTLIER -88.52 133.58 34.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.412 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 27.5 t -90.54 6.17 44.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.954 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.53 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 36.9 ttt-85 -88.82 -14.85 36.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.45 -39.52 1.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.868 ' CZ3' ' HB3' ' A' ' 76' ' ' ALA . 88.6 m95 -106.5 158.68 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.557 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 58.8 158.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 108.282 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.487 ' HB2' ' CB ' ' A' ' 75' ' ' ASN . 2.3 t-20 -135.92 -170.99 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 27.5 t0 -132.16 -46.39 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.11 -2.54 55.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -120.69 -1.03 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.583 0.813 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -128.2 90.16 47.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.423 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.72 4.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.778 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.62 -59.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.81 161.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 74' ' ' VAL . 7.6 p -120.1 62.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 5.3 p-10 -49.06 101.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.868 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -86.69 -10.6 53.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.0 t -89.31 -38.48 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.01 57.69 7.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -147.75 165.26 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.578 0.811 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.448 ' N ' HG12 ' A' ' 79' ' ' ILE . 11.4 m-80 -74.3 121.04 20.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.441 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 8.3 m -49.83 -37.89 32.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 108.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -54.59 -22.68 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.06 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -64.3 -14.74 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.668 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 20.8 mt -101.27 12.51 37.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.62 13.24 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -96.88 -170.53 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -84.25 -72.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -47.37 133.23 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.453 HD12 ' CE1' ' A' ' 8' ' ' PHE . 16.0 pt -92.58 0.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.3 t -45.24 -40.77 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.439 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -69.56 -37.71 77.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.635 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -63.58 -39.32 94.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 32.6 mt -70.75 -51.72 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -54.69 -49.49 70.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.5 OUTLIER -67.39 -40.95 85.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.886 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -51.26 -50.03 60.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 94' ' ' GLN . 2.8 pttt -69.04 -45.66 69.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.434 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 7.5 ttt85 -60.3 -22.67 63.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 7.8 t -85.66 -56.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 96' ' ' ALA . 13.4 t -58.1 -25.18 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -20.31 22.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.5 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -71.9 177.17 1.8 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.4 Cg_endo -75.0 0.43 8.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.25 -61.5 1.89 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 106' ' ' ILE . . . 80.38 152.57 8.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.615 ' CD1' HD22 ' A' ' 31' ' ' LEU . 1.3 mm -40.07 -34.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.54 -37.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.07 -36.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.408 ' C ' ' N ' ' A' ' 111' ' ' ALA . 21.6 m-90 -95.47 62.69 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 113' ' ' ARG . 36.4 t -41.63 -28.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -46.86 -50.31 18.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -36.28 69.47 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -68.16 -14.63 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.02 31.02 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.423 ' CG ' ' CD2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -149.83 -44.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 109.615 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -54.87 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 108.353 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -17.76 7.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -57.61 -67.25 0.35 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -136.98 -158.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -91.34 105.62 17.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.962 HD12 ' HB3' ' A' ' 30' ' ' CYS . 1.2 tm? -97.46 17.07 18.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.7 t -75.59 -28.69 59.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -63.02 -12.51 26.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -76.28 -30.0 57.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 128' ' ' CYS . 7.7 pt -95.16 -35.22 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 7.5 tpm_? -74.2 122.07 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 8.0 t-20 78.86 24.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -88.07 -28.6 21.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.311 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 109.35 36.11 2.17 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.552 1.157 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.325 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 68.1 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 1.091 ' CZ ' HG22 ' A' ' 89' ' ' ILE . 7.2 m-30 -105.62 100.61 10.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.41 ' HG2' ' HB2' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -94.15 152.59 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.421 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 11.3 ptt-85 -46.11 -58.82 3.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -46.57 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -33.09 -65.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.636 ' CE1' ' CD1' ' A' ' 12' ' ' LEU . 32.5 t80 -45.66 -52.5 10.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.67 -52.44 63.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -51.2 -64.39 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.536 ' O ' ' N ' ' A' ' 15' ' ' ASN . 18.1 m -46.11 -52.94 11.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.636 ' CD1' ' CE1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -48.31 -60.31 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -59.37 -24.86 63.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -84.12 -19.95 33.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 11' ' ' THR . 3.7 t-20 -88.92 -41.99 12.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.81 33.05 1.61 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.516 ' HE1' ' CE1' ' A' ' 20' ' ' TYR . 11.0 mmt -116.59 -36.19 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.023 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -52.16 111.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.44 34.37 14.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.516 ' CE1' ' HE1' ' A' ' 17' ' ' MET . 2.4 t80 -53.73 -172.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 0.813 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -36.23 -31.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -155.11 -62.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.933 HG11 HG13 ' A' ' 106' ' ' ILE . 6.2 m -51.87 107.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.205 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.1 m -90.87 170.07 10.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 110.045 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.023 ' CD2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -50.26 -29.73 10.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.32 -52.51 61.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.624 ' HA ' ' CZ3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -64.74 -34.78 79.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CZ3' HD11 ' A' ' 106' ' ' ILE . 91.6 m95 -68.46 -60.82 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.002 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 25' ' ' LEU . 94.1 t -55.16 -55.45 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.532 ' HB2' HD22 ' A' ' 121' ' ' LEU . 18.0 t -50.01 -55.7 13.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 108.324 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.966 HD11 ' CD2' ' A' ' 109' ' ' TRP . 2.8 tt -48.43 -46.86 38.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -65.62 -29.53 70.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -68.13 -52.15 37.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.242 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.998 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.1 t-80 -59.23 -25.81 64.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.5 -60.49 2.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' ASN . 25.2 t -175.69 -50.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 39' ' ' ASN . 6.9 t30 47.87 -173.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' TYR . 3.0 m-85 62.38 -59.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.4 m120 -122.95 142.95 50.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.658 HG21 ' CE1' ' A' ' 3' ' ' TYR . 1.2 p -101.95 16.15 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.3 tpm_? -60.59 -14.91 22.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.02 96.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.433 ' HA ' ' HB3' ' A' ' 54' ' ' TYR . 12.0 p -141.41 133.58 27.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -150.47 97.03 2.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.631 ' HA ' HG23 ' A' ' 52' ' ' THR . 11.0 p90 -89.45 158.18 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -161.82 104.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.3 OUTLIER -75.11 -30.8 60.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.25 -36.79 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.409 1.068 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -141.51 32.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ASP . 20.4 tp60 35.58 61.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.524 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 76.9 p -141.11 111.98 7.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.631 HG23 ' HA ' ' A' ' 45' ' ' TYR . 88.2 m -108.98 129.75 55.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -113.21 113.09 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.693 ' HE1' HD13 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -152.66 169.31 23.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.56 152.36 10.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.749 HG23 ' HD1' ' A' ' 57' ' ' PHE . 13.1 tt -54.29 -33.06 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.749 ' HD1' HG23 ' A' ' 56' ' ' ILE . 4.1 m-85 -95.99 10.18 38.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 47.03 84.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 52.5 mt -113.87 147.82 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.183 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' OD1' ' CG ' ' A' ' 53' ' ' ASP . 1.4 m120 -91.43 139.15 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 52' ' ' THR . 3.0 t -92.3 2.64 56.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.524 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -87.51 -15.3 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -122.13 -32.94 3.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.793 ' CD1' HG22 ' A' ' 99' ' ' VAL . 32.6 m-90 -120.05 167.19 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.773 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 59.46 156.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.46 ' HB2' ' CB ' ' A' ' 75' ' ' ASN . 1.8 t-20 -143.34 -164.21 1.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 16.8 t0 -144.59 -54.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.5 -0.2 26.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.439 1.087 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -115.85 -6.19 12.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -124.42 95.13 43.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 57.1 4.5 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.17 -65.66 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.34 134.86 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.368 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 74' ' ' VAL . 11.9 p -98.27 62.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.46 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 14.3 p-10 -48.56 94.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.68 -10.84 59.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.509 ' HB3' HD12 ' A' ' 79' ' ' ILE . 5.0 t -89.82 -40.04 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 108.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 69.3 58.87 6.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.773 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -149.87 170.46 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 0.794 . . . . 0.0 109.285 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.516 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 9.9 m-80 -75.88 123.01 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.534 ' HA ' HD12 ' A' ' 84' ' ' LEU . 57.1 m -52.14 -37.56 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 108.391 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -26.63 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -60.19 -17.42 41.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.693 HD13 ' HE1' ' A' ' 54' ' ' TYR . 1.1 mp -99.13 15.94 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 85' ' ' LEU . 12.0 tp -137.36 21.64 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -104.64 -167.15 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.81 -75.25 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.618 ' HB2' HG22 ' A' ' 90' ' ' THR . 0.2 OUTLIER -41.14 122.93 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.091 HG22 ' CZ ' ' A' ' 3' ' ' TYR . 5.7 pt -79.08 -2.72 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.618 HG22 ' HB2' ' A' ' 88' ' ' ASP . 9.6 t -44.61 -36.06 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.48 -38.73 65.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.543 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -63.32 -38.43 91.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.447 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 12.4 mt -73.35 -51.56 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 41.9 tt0 -52.51 -46.72 66.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.75 -48.18 55.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.3 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -48.23 -43.92 32.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 15.6 ptpt -75.31 -41.22 57.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.509 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -61.97 -23.99 66.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.793 HG22 ' CD1' ' A' ' 64' ' ' TRP . 41.1 t -90.13 -57.39 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.0 t -56.17 -26.05 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -19.73 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.497 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -74.27 177.55 2.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -74.92 1.82 7.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.57 -64.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.16 158.98 30.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.933 HG13 HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -47.5 -24.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 110' ' ' VAL . 2.8 ttp180 -42.22 -33.59 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.03 -32.7 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.966 ' CD2' HD11 ' A' ' 31' ' ' LEU . 13.9 m-90 -96.55 47.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 107' ' ' ARG . 24.9 t -40.11 -28.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.118 . . . . 0.0 109.384 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.998 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -41.49 -51.22 3.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.675 ' CE3' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.93 -42.96 85.93 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -68.15 -8.53 39.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.89 33.22 4.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.5 OUTLIER -153.25 -51.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.947 ' SG ' HD22 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -88.92 -47.18 8.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.26 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.27 61.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.677 ' N ' ' O ' ' A' ' 116' ' ' CYS . 2.6 t-20 -155.45 -44.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 -169.58 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.49 101.33 12.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.947 HD22 ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -98.17 18.36 16.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 m -72.93 -18.11 61.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -76.79 -10.25 59.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -30.04 59.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.636 ' CD1' HD12 ' A' ' 25' ' ' LEU . 8.9 pt -98.77 -43.07 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.419 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -61.15 104.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.8 OUTLIER 162.42 -27.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -25.08 61.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.89 31.37 2.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.566 0.803 . . . . 0.0 109.375 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.583 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 9.2 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 38.9 m-85 -160.22 116.25 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 5' ' ' ARG . 2.3 pm0 -96.52 170.24 9.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.481 ' HA ' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -34.8 -58.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 7' ' ' GLU . 71.8 m -51.87 -78.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 6' ' ' CYS . 4.1 mt-10 -32.39 -65.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.596 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -41.84 -54.96 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 111.069 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -53.5 -53.59 49.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -51.52 -57.47 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.5 m -54.42 -53.2 57.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.426 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -47.01 -52.07 15.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -66.52 -29.99 70.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -74.09 -25.05 59.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.4 -39.39 13.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.17 45.59 0.74 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.8 tpp -125.1 -39.18 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.745 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -50.27 109.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.65 34.69 27.47 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.061 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' TYR . 7.3 t80 -50.38 -176.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -34.53 -49.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.18 -61.8 0.14 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.763 HG11 ' CE2' ' A' ' 28' ' ' TRP . 46.4 t -41.11 127.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.597 0.822 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.21 154.06 20.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.745 HD13 ' CB ' ' A' ' 18' ' ' ALA . 26.5 tp -59.79 -45.75 91.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -56.35 -45.17 80.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 46.1 m-20 -68.33 -33.58 74.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.763 ' CE2' HG11 ' A' ' 23' ' ' VAL . 2.5 m95 -60.87 -55.04 37.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 107.959 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 9' ' ' ALA . 16.5 t -60.14 -53.37 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 109.372 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.499 ' HB2' HD22 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -53.12 -47.96 68.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' CD1' ' CD1' ' A' ' 106' ' ' ILE . 5.8 tt -53.94 -52.32 60.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.98 -26.2 68.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.04 -53.59 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -62.09 -28.01 69.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -74.07 -56.27 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.07 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.94 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 8' ' ' PHE . 2.2 t30 53.89 -164.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.43 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.5 ' N ' ' O ' ' A' ' 3' ' ' TYR . 22.8 m-85 56.77 -113.76 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -88.43 137.63 32.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.9 p -84.83 54.63 3.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.37 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.678 ' O ' HG23 ' A' ' 43' ' ' THR . 0.4 OUTLIER -98.62 -44.59 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.219 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.505 ' CB ' ' HA3' ' A' ' 55' ' ' GLY . . . -39.54 102.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 41' ' ' ARG . 3.4 p -133.73 139.34 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ASP . 1.6 t-20 -128.76 88.64 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.425 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 1.0 OUTLIER -94.02 159.42 15.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -161.68 104.34 1.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -77.72 -32.91 53.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -44.06 -46.73 8.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -115.27 24.81 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.336 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' ASP . 1.5 tp-100 36.42 61.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.486 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 72.8 m -148.32 147.3 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.431 ' CG2' ' N ' ' A' ' 53' ' ' ASP . 1.7 m -136.56 166.75 22.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -142.63 126.11 16.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.846 ' CE2' HD13 ' A' ' 84' ' ' LEU . 64.0 m-85 -88.07 116.48 26.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.577 ' O ' ' N ' ' A' ' 57' ' ' PHE . . . -60.32 -49.49 78.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.568 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.8 tp -26.99 -41.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -148.09 29.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.622 ' N ' ' O ' ' A' ' 54' ' ' TYR . 6.3 tp-100 37.25 53.06 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' TYR . 37.8 mt -101.37 134.37 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -77.26 128.98 35.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -90.84 4.3 52.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 110.048 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.23 -27.08 22.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -112.06 -31.84 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 29.1 m-90 -109.87 152.99 25.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.583 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.79 143.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.291 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.471 ' CG ' ' N ' ' A' ' 67' ' ' ASP . 11.8 t30 -80.28 -95.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 9.9 t0 173.45 -46.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.96 2.49 80.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -137.8 -46.73 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.753 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.534 HG22 ' HB2' ' A' ' 72' ' ' ARG . 2.7 m -106.47 103.49 46.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 55.29 3.96 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.534 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -120.98 -54.48 2.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.62 138.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.3 p -90.69 62.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 27.2 p-10 -38.96 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -90.08 -15.09 32.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.148 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.639 ' HB3' HD12 ' A' ' 79' ' ' ILE . 8.5 t -89.98 -26.0 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.445 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 68.56 55.86 11.07 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.474 1.109 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -150.86 163.09 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 0.772 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.605 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 7.0 m-80 -76.59 126.64 31.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.419 ' HA ' HD12 ' A' ' 84' ' ' LEU . 18.9 m -50.85 -44.2 59.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 108.266 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 0.6 OUTLIER -54.04 -26.53 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.064 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -62.38 -15.42 48.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.846 HD13 ' CE2' ' A' ' 54' ' ' TYR . 1.3 mt -105.34 14.84 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tp -137.32 28.56 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 82' ' ' SER . 6.9 mt-30 -109.84 -155.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.0 -73.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -51.65 142.13 15.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ALA . 6.0 pt -98.38 5.21 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 t -42.92 -36.13 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.11 -42.6 65.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -60.23 -40.55 90.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.5 mt -70.49 -50.08 48.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 10.4 tt0 -55.73 -46.05 77.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.797 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -69.02 -40.47 78.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 108.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -54.23 -47.46 72.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 16.4 pttt -70.39 -44.06 68.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.444 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 4.0 tpt180 -63.55 -23.11 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.347 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 95' ' ' CYS . 52.6 t -84.13 -58.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -29.59 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -54.41 -24.16 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -72.05 178.32 1.38 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.0 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.584 1.834 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.41 ' O ' ' NH1' ' A' ' 107' ' ' ARG . 9.0 mm-40 -68.78 -61.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.453 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 79.73 162.63 25.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.63 HG13 HG22 ' A' ' 23' ' ' VAL . 1.3 mm -40.92 -28.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.453 ' N ' ' C ' ' A' ' 105' ' ' GLY . 6.8 ttp-105 -40.48 -38.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.66 -38.51 2.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 110' ' ' VAL . 30.7 m-90 -93.31 50.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.014 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 109' ' ' TRP . 11.7 p -34.53 -36.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -42.27 -57.1 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.644 ' CD1' ' C ' ' A' ' 112' ' ' TRP . 0.7 OUTLIER -52.62 -56.97 11.61 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -46.08 -20.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 112' ' ' TRP . . . -130.77 37.08 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 11.5 t60 -151.65 -51.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.613 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.639 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.02 -50.08 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 108.285 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -68.58 58.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 116' ' ' CYS . 9.4 t-20 -145.25 -52.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -129.35 -171.7 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.203 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.97 100.52 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 30' ' ' CYS . 1.4 tp -103.75 22.25 14.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.01 -24.54 60.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.059 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.79 -11.86 59.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -75.68 -31.4 59.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.485 HG22 HG21 ' A' ' 29' ' ' VAL . 1.9 pt -100.73 -30.63 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -77.7 125.57 29.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.369 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 5.1 t-20 75.87 24.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -83.05 -34.31 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 108.235 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.71 35.43 1.27 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.641 HG13 ' C ' ' A' ' 38' ' ' TYR . 41.3 t -124.94 145.61 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' TYR . 14.6 m-85 -140.84 131.66 25.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' ARG . 9.2 pt-20 -118.03 165.98 13.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -36.03 -66.32 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -48.09 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.319 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -33.73 -67.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.984 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -41.6 -50.91 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -56.03 -55.23 35.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -51.0 -57.93 7.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.3 m -51.27 -55.66 17.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.777 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -46.72 -54.16 10.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -64.93 -26.24 68.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.0 tpt85 -78.89 -23.37 44.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.4 t-20 -89.42 -40.43 12.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.83 41.34 1.45 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.75 -38.49 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.859 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -52.04 109.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 102.15 21.71 10.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' TYR . 4.4 t80 -43.31 168.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -34.95 -48.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.61 -56.71 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.769 HG11 ' CE2' ' A' ' 28' ' ' TRP . 5.5 t -53.34 116.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -90.41 145.06 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.043 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.859 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 12.1 tp -43.19 -47.93 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.69 85.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 48.2 m-20 -64.21 -37.45 87.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.769 ' CE2' HG11 ' A' ' 23' ' ' VAL . 24.6 m95 -63.69 -57.15 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 107.983 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.668 HG21 HG22 ' A' ' 125' ' ' ILE . 39.6 t -52.03 -62.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -46.98 -47.13 21.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 106' ' ' ILE . 5.4 tt -59.83 -67.52 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.098 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.984 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -43.73 -29.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -72.18 -52.91 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.756 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 5.1 t-80 -61.12 -22.23 64.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.536 ' OE1' ' CD1' ' A' ' 109' ' ' TRP . 15.0 mm-40 -74.68 -65.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 158.29 62.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.553 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 8.1 t-20 -58.7 -150.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.641 ' C ' HG13 ' A' ' 2' ' ' VAL . 25.0 m-85 72.66 -125.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.063 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' ARG . 2.7 p30 -84.74 142.32 29.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 p -70.03 58.55 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 39' ' ' ASN . 4.0 tpt180 -113.79 4.65 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.16 91.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 1.039 HG22 ' CD2' ' A' ' 54' ' ' TYR . 1.9 p -142.38 122.28 13.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.39 99.56 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.715 ' HA ' HG23 ' A' ' 52' ' ' THR . 1.1 p90 -89.36 159.5 17.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 51' ' ' SER . 29.1 m120 -162.77 104.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' GLY . 5.2 ttt85 -75.58 -32.9 60.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -37.59 -41.33 0.82 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -122.93 30.93 6.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ASP . 1.9 tt0 35.14 47.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 79.8 p -138.51 149.54 45.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.76 HG22 ' CD1' ' A' ' 54' ' ' TYR . 7.6 m -141.57 131.83 24.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -101.02 98.91 9.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 1.039 ' CD2' HG22 ' A' ' 43' ' ' THR . 4.5 m-85 -127.02 157.65 39.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' GLN . . . 101.8 143.61 13.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.442 HD11 ' OD1' ' A' ' 37' ' ' ASN . 13.8 tt -50.61 -32.82 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.442 ' CZ ' ' CZ ' ' A' ' 8' ' ' PHE . 14.6 m-85 -89.94 22.46 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 37.51 69.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.8 mt -96.14 134.53 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.242 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -80.31 132.72 35.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -89.84 10.85 22.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -88.08 -2.29 58.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -151.98 -44.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.525 ' NE1' HG13 ' A' ' 99' ' ' VAL . 5.2 m-90 -96.29 156.33 16.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.759 ' HA ' HD13 ' A' ' 79' ' ' ILE . 1.4 p 52.42 176.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.54 -169.3 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -150.37 -51.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.14 -0.77 22.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -14.73 26.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -125.8 94.99 40.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 58.98 5.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.96 -45.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.83 159.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' VAL . 6.3 p -122.08 54.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' VAL . 17.9 p-10 -39.32 100.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -79.99 -18.05 51.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.668 ' HB3' HD12 ' A' ' 79' ' ' ILE . 1.8 t -89.49 -32.79 17.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.438 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.51 53.66 30.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.759 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -150.92 163.23 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -75.23 124.03 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.605 ' HA ' HD12 ' A' ' 84' ' ' LEU . 52.3 m -50.21 -32.66 17.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.6 t -58.17 -32.38 68.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.17 -18.25 24.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.1 mt -99.98 11.2 39.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.918 HD11 ' CG2' ' A' ' 43' ' ' THR . 0.0 OUTLIER -124.59 20.68 8.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -90.74 -162.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.36 -51.13 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -76.98 132.49 39.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 92' ' ' ALA . 9.1 pt -85.1 2.73 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.66 -37.44 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.18 63.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.638 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.29 -40.09 95.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.28 -50.88 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.46 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -56.46 -47.3 79.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.539 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.8 t -68.61 -45.22 72.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.09 -48.81 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -70.59 -42.49 70.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.504 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 7.7 tpt180 -61.64 -22.35 65.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 95' ' ' CYS . 51.7 t -88.25 -57.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.7 t -56.89 -26.97 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -53.4 -19.22 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.473 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -79.29 176.69 3.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.4 Cg_endo -74.96 1.53 7.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.534 1.807 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -69.79 -63.86 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.25 163.33 28.15 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.836 HD12 HD13 ' A' ' 31' ' ' LEU . 3.9 mm -39.68 -31.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 0.735 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 105' ' ' GLY . 9.7 tpt180 -38.46 -38.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.0 -36.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.593 ' CE3' HD11 ' A' ' 31' ' ' LEU . 24.4 m-90 -94.16 60.26 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 107.964 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 113' ' ' ARG . 15.0 p -42.64 -27.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.756 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -48.09 -49.72 30.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.493 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.12 -30.36 64.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 107.968 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.491 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -69.43 -15.26 63.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.79 31.13 5.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.143 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.73 -44.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -88.72 -55.68 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 108.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 55.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -141.57 -57.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.64 -170.19 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -85.7 101.55 12.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.806 HD13 ' O ' ' A' ' 121' ' ' LEU . 1.2 tm? -90.1 9.71 27.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 m -75.74 -25.41 56.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.963 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.4 -15.85 63.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -38.06 33.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.668 HG22 HG21 ' A' ' 29' ' ' VAL . 3.3 pt -90.34 -32.72 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 2.0 ttm180 -70.02 99.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.4 m-20 161.27 -26.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -24.57 60.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 105.59 31.39 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.845 ' O ' HG22 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 38' ' ' TYR . 60.4 t -106.19 145.72 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 38' ' ' TYR . 2.4 m-85 -156.07 117.53 3.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -106.97 171.63 7.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -43.77 -55.05 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 7' ' ' GLU . 1.1 m -55.38 -76.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 108.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 6' ' ' CYS . 6.6 mm-40 -36.09 -65.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 32' ' ' ALA . 45.7 t80 -45.66 -48.85 14.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.27 59.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -53.35 -56.03 20.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' ASN . 7.3 m -52.4 -55.03 24.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -49.02 -50.48 35.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -65.11 -28.96 69.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -78.57 -24.32 45.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -89.52 -40.05 12.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.82 46.52 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.35 -39.37 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.565 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -52.14 110.54 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.05 28.02 35.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' TYR . 53.8 t80 -48.6 177.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' TYR . 1.4 m-85 -35.37 -54.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.37 -61.42 0.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.611 1.195 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.6 t -47.73 119.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -88.76 146.1 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.565 HD13 ' CB ' ' A' ' 18' ' ' ALA . 9.9 tp -42.8 -49.39 5.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HA ' HG21 ' A' ' 125' ' ' ILE . . . -58.54 -41.52 85.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' SER . 19.0 m-20 -63.51 -36.49 83.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.707 ' CE2' HG11 ' A' ' 23' ' ' VAL . 24.5 m95 -65.69 -57.46 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.011 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.746 HG21 HG22 ' A' ' 125' ' ' ILE . 41.3 t -55.55 -58.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.874 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -48.53 -47.13 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 108.347 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.739 HD13 ' C ' ' A' ' 31' ' ' LEU . 1.6 tm? -58.2 -56.35 23.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . . . -58.74 -23.0 59.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tt0 -75.29 -53.95 7.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.812 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 13.1 t-80 -57.96 -27.0 63.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.655 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.1 mm-40 -74.34 -61.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 159.39 60.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.753 ' HA ' HD11 ' A' ' 56' ' ' ILE . 38.0 p-10 -57.64 -158.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.799 ' O ' HG13 ' A' ' 2' ' ' VAL . 23.6 m-85 67.19 -58.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' ASN . 16.0 t-20 -121.58 155.54 34.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 1' ' ' LYS . 1.7 t -133.91 40.56 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -105.77 4.11 29.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 54' ' ' TYR . . . -43.34 114.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -145.39 128.58 16.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.2 m-20 -147.41 97.14 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.424 ' OH ' ' CD1' ' A' ' 85' ' ' LEU . 23.0 m-85 -89.53 151.39 21.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' SER . 20.5 m120 -162.13 104.63 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.22 -32.55 29.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.45 -43.89 1.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' GLN . 25.0 t0 -121.18 31.06 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' ASP . 9.1 tp-100 34.09 56.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' ASN . 28.3 p -143.48 151.38 40.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.472 HG22 ' CD2' ' A' ' 54' ' ' TYR . 1.5 m -145.97 156.24 43.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 0.0 110.456 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ASN . 71.6 m-20 -140.07 117.69 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.606 ' HE1' HD13 ' A' ' 84' ' ' LEU . 2.0 p90 -150.91 168.3 24.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.25 146.7 18.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.788 HG23 ' HD1' ' A' ' 57' ' ' PHE . 18.7 tt -52.49 -30.61 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.788 ' HD1' HG23 ' A' ' 56' ' ' ILE . 5.3 m-85 -92.03 17.88 8.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER 37.83 74.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -100.38 140.4 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.458 ' ND2' ' CE3' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -90.01 137.0 32.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.417 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 1.1 t -92.28 11.46 25.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -33.18 19.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.544 ' HA ' HG13 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -115.26 -22.11 9.58 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.458 ' CE3' ' ND2' ' A' ' 60' ' ' ASN . 3.1 m-90 -114.05 167.88 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 107.975 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.753 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 59.33 159.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 108.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -127.79 -178.42 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -157.04 -47.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.67 -0.77 89.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -97.63 -13.53 21.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 70' ' ' THR . 3.2 t -131.0 107.53 15.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 61.82 5.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.33 -53.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.312 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.03 156.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.621 ' O ' HG22 ' A' ' 74' ' ' VAL . 2.4 p -129.61 60.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' ASN . 23.6 p-10 -39.93 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -90.4 -14.03 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.574 ' HB3' HD12 ' A' ' 79' ' ' ILE . 7.8 t -89.56 -32.38 17.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.45 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 71.93 55.05 7.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.753 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -150.99 155.86 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.412 0.713 . . . . 0.0 109.267 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -72.3 127.18 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.533 ' HA ' HD12 ' A' ' 84' ' ' LEU . 70.3 m -48.16 -37.87 16.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.3 p -56.48 -34.24 66.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -58.43 -24.28 59.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 79' ' ' ILE . 1.1 mt -96.06 9.4 40.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.424 ' CD1' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -121.72 23.27 10.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.55 -165.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.36 -73.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.21 145.28 14.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.482 HG12 ' CZ ' ' A' ' 3' ' ' TYR . 5.8 pt -84.07 5.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -43.37 -36.47 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.77 62.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.52 -38.01 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 10.1 mt -74.38 -52.04 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 22.1 tt0 -55.54 -44.64 76.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' VAL . 4.0 t -70.37 -47.43 60.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -48.35 -45.44 35.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 20.1 pttt -73.28 -42.98 61.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -62.54 -22.57 66.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.245 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' CYS . 44.9 t -88.22 -57.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.36 -24.9 25.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -57.89 -16.7 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.501 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -81.46 177.75 2.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.1 Cg_endo -75.04 1.78 7.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -69.78 -62.27 1.45 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.65 160.0 22.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.57 1.169 . . . . 0.0 110.97 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.586 HD13 ' CE3' ' A' ' 109' ' ' TRP . 2.8 mm -43.74 -27.12 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.434 ' N ' ' C ' ' A' ' 105' ' ' GLY . 17.1 ttm180 -38.31 -39.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.22 -37.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.387 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.586 ' CE3' HD13 ' A' ' 106' ' ' ILE . 24.2 m-90 -94.34 62.34 2.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 107.959 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' ARG . 13.9 p -43.25 -27.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.812 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -47.63 -47.78 28.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -61.42 -33.32 73.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.493 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 3.1 tmm_? -64.45 -15.71 61.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -126.62 32.02 5.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.99 -45.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.615 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -88.95 -55.18 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.069 . . . . 0.0 108.292 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.402 ' OE1' ' CA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -72.65 56.14 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -147.75 -65.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -119.38 -171.27 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -91.49 97.93 11.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.874 HD12 ' HB3' ' A' ' 30' ' ' CYS . 1.4 tm? -92.22 13.02 20.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 -26.28 59.81 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -62.76 -15.35 53.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.63 -37.86 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.746 HG22 HG21 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -90.95 -33.14 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 0.0 109.238 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.421 ' N ' HG13 ' A' ' 125' ' ' ILE . 13.0 tpt180 -77.7 104.37 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 162.55 -27.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -23.95 59.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 108.365 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 106.55 32.96 3.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -125.17 142.26 42.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -138.93 115.96 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -100.97 168.4 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.265 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.718 ' HA ' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -41.58 -54.85 3.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -53.21 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -36.75 -65.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.785 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -45.19 -47.99 12.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.64 55.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.591 1.182 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -50.67 -56.55 11.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 15' ' ' ASN . 8.4 m -52.65 -56.61 14.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.434 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -46.0 -53.8 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -64.87 -27.49 68.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -76.33 -26.47 55.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.2 t30 -89.86 -42.24 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.94 55.65 0.47 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mmm -131.06 -40.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 0.724 . . . . 0.0 111.039 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -47.55 113.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.95 29.03 24.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.436 1.085 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' TYR . 9.3 t80 -48.43 178.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.398 0.705 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -35.63 -48.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.2 -61.36 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.733 HG11 ' CE2' ' A' ' 28' ' ' TRP . 12.2 t -43.99 120.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.534 0.785 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.54 150.7 21.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.712 ' HG ' HG21 ' A' ' 125' ' ' ILE . 10.0 tp -49.19 -43.74 42.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.84 87.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.592 ' OD1' ' CH2' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -67.8 -33.75 75.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.181 . . . . 0.0 109.327 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.733 ' CE2' HG11 ' A' ' 23' ' ' VAL . 16.9 m95 -67.99 -59.47 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.805 HG21 HG22 ' A' ' 125' ' ' ILE . 43.2 t -55.21 -57.26 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.629 ' HB2' HD22 ' A' ' 121' ' ' LEU . 8.8 t -51.74 -45.74 63.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.423 1.077 . . . . 0.0 108.226 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.652 ' CD1' ' CG ' ' A' ' 109' ' ' TRP . 14.8 tp -52.05 -62.05 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.785 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -55.93 -29.18 59.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.15 -53.54 19.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.603 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 2.5 t-160 -64.59 -28.59 69.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.574 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' SER . 10.8 mm-40 -71.39 -59.45 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.639 1.212 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER 160.29 51.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.607 ' O ' ' N ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -61.07 -151.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.57 1.168 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.511 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.9 OUTLIER 61.24 -63.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 111.011 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.607 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.6 m120 -104.02 140.86 37.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.547 HG22 HD12 ' A' ' 56' ' ' ILE . 36.7 p -103.62 34.35 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -117.63 11.96 13.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.247 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB3' ' C ' ' A' ' 55' ' ' GLY . . . -44.91 104.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.053 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.902 HG22 ' CD2' ' A' ' 54' ' ' TYR . 6.7 p -148.96 122.77 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.3 m-20 -150.18 98.35 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.503 ' HA ' HG23 ' A' ' 52' ' ' THR . 15.7 p90 -88.75 159.76 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -163.56 106.07 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -74.99 -31.08 61.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.601 1.188 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -36.53 -37.88 0.24 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' GLN . 4.4 t0 -129.25 33.28 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.52 ' CG ' HG21 ' A' ' 70' ' ' THR . 0.0 OUTLIER 34.76 51.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.563 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 79.2 p -140.71 153.44 45.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.659 HG22 ' CD1' ' A' ' 54' ' ' TYR . 3.0 m -145.21 133.5 21.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 0.0 110.48 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' ASN . 23.5 m-20 -102.67 102.34 12.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.902 ' CD2' HG22 ' A' ' 43' ' ' THR . 4.0 m-85 -127.5 158.83 36.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.472 ' C ' ' HB3' ' A' ' 42' ' ' ALA . . . 98.88 146.8 21.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.547 HD12 HG22 ' A' ' 40' ' ' THR . 9.2 tt -52.39 -32.15 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.764 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 18.4 m-85 -90.12 22.45 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 36.96 66.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.2 mt -89.38 133.69 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.43 124.94 28.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 9.4 t -82.48 7.12 15.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.563 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.4 OUTLIER -88.18 11.96 15.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.085 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.485 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.03 -37.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 111.038 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.552 ' CZ3' ' HB3' ' A' ' 76' ' ' ALA . 69.7 m95 -116.22 167.22 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.833 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER 59.1 154.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 108.307 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 8.2 p30 -106.43 -172.75 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 66' ' ' ASN . 11.1 t0 -162.32 -45.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.19 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.6 2.12 59.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.103 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 0.1 31.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.52 HG21 ' CG ' ' A' ' 50' ' ' GLN . 1.3 m -143.96 106.06 4.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 55.73 4.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' ALA . 2.0 ttt-85 -150.81 -44.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -49.87 179.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -149.63 95.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 30.2 p-10 -67.95 62.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.418 1.073 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -60.13 -16.08 29.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.574 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.8 t -89.24 -32.71 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.453 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.44 51.32 37.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.608 1.193 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.833 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -151.29 118.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 0.793 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 82' ' ' SER . 9.1 m-20 -50.7 124.33 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.65 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -48.14 -27.33 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 80' ' ' ASN . 0.1 OUTLIER -57.85 -31.34 66.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.981 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.24 67.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -100.83 13.54 34.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.222 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.58 6.93 14.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 87' ' ' ASP . 23.8 pt20 -106.14 -157.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -90.73 -58.55 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.51 110.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ALA . 16.4 pt -82.67 3.2 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 t -45.13 -35.51 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.404 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.37 -38.23 65.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -64.51 -41.16 96.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.2 mt -71.34 -48.45 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.203 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -57.09 -49.56 75.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.551 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -68.6 -41.95 78.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -50.54 -50.46 53.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 17.2 pttt -71.22 -40.37 71.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.527 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.8 ttt85 -64.27 -20.87 66.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 95' ' ' CYS . 39.7 t -89.8 -57.61 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -30.78 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -25.58 6.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 110.254 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.496 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -73.99 177.76 1.95 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.96 1.13 8.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -67.96 -62.07 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 78.34 162.57 20.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.591 HD13 ' CE3' ' A' ' 109' ' ' TRP . 2.9 mm -44.21 -27.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.582 0.813 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -42.92 -36.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.196 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.81 -33.11 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.284 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.652 ' CG ' ' CD1' ' A' ' 31' ' ' LEU . 12.9 m-90 -97.65 43.9 1.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 113' ' ' ARG . 11.3 p -40.87 -27.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 109.256 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.603 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -45.21 -51.33 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.392 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.649 ' CE3' ' CB ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.13 -34.47 72.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 108.018 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 110' ' ' VAL . 6.9 ttt-85 -75.88 -11.46 59.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.7 30.32 5.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 1.6 t60 -151.87 -48.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.84 ' SG ' HD22 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -89.72 -57.67 2.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 108.268 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 116' ' ' CYS . 1.7 tm0? -37.67 -30.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 116' ' ' CYS . 2.0 t-20 -47.88 -55.8 9.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.06 -168.86 1.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -91.5 102.34 15.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.84 HD22 ' SG ' ' A' ' 116' ' ' CYS . 0.5 OUTLIER -96.61 18.73 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -20.76 62.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.49 -9.82 58.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 5' ' ' ARG . 1.1 t80 -74.59 -24.36 58.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.805 HG22 HG21 ' A' ' 29' ' ' VAL . 2.3 pt -106.51 -29.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -75.42 -0.15 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 124' ' ' TYR . 29.0 p30 -84.98 -22.15 29.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 127' ' ' ASN . 0.4 OUTLIER -74.57 -25.65 59.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 108.331 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 102.6 30.09 5.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.358 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.43 ' N ' ' CG2' ' A' ' 40' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.517 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 72.1 t -129.32 130.9 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.182 . . . . 0.0 109.378 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.577 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 8.4 m-85 -156.81 121.08 4.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ARG . 12.6 pt-20 -102.41 165.83 10.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -38.62 -68.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -44.38 -72.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.318 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -35.14 -66.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.608 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -46.63 -49.98 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 6' ' ' CYS . . . -51.82 -52.84 46.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.4 1.063 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -58.18 -51.19 70.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' ASN . 13.2 m -57.05 -54.67 44.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.08 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.679 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -50.77 -50.19 56.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.73 -28.83 69.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -79.49 -22.15 44.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.19 -38.9 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.85 44.28 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.465 ' HE2' HG23 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -125.5 -38.61 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.949 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.876 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -49.93 112.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.54 33.17 28.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' TYR . 25.7 t80 -49.43 179.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -36.18 -52.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.943 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.42 -59.36 0.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.821 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.1 t -48.64 122.39 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 109.21 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -90.42 141.28 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.876 HD22 ' HB1' ' A' ' 18' ' ' ALA . 3.9 tp -43.02 -48.61 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.58 79.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 21.9 m-20 -66.16 -36.69 83.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.821 ' CE2' HG11 ' A' ' 23' ' ' VAL . 16.1 m95 -63.54 -55.37 24.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 107.964 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' GLN . 13.3 t -58.7 -63.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.399 1.062 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.683 ' CB ' HD23 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -45.19 -43.19 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 108.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.637 HD22 HD12 ' A' ' 106' ' ' ILE . 27.0 tp -58.28 -55.5 34.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.23 -19.81 65.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tm0? -74.19 -56.29 5.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.682 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.0 OUTLIER -60.76 -24.74 65.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.607 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' SER . 19.1 mm-40 -75.57 -63.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER 158.51 64.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.608 ' OD1' ' CD2' ' A' ' 8' ' ' PHE . 9.1 t30 -64.2 -155.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 5.7 m-85 62.4 -61.68 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ASN . 12.7 m-20 -129.06 150.42 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.465 HG22 HD11 ' A' ' 56' ' ' ILE . 4.0 p -103.36 49.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 43' ' ' THR . 4.4 ttt-85 -88.73 -18.72 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.15 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 54' ' ' TYR . 7.3 p -143.38 135.6 26.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.344 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -150.63 94.27 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -89.96 157.85 17.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' SER . 75.7 m-20 -160.87 103.67 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.7 tpp180 -76.69 -30.97 56.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.98 -36.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -137.1 35.51 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.3 tp60 36.44 50.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.483 ' HB3' ' CD ' ' A' ' 62' ' ' ARG . 90.7 p -132.98 147.52 52.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.572 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.9 m -140.97 164.68 29.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.433 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASN . 5.4 t0 -149.79 108.62 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.662 ' HE1' HD12 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -150.02 169.6 20.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.27 164.17 16.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.465 HD11 HG22 ' A' ' 40' ' ' THR . 3.2 mm -41.43 -60.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.536 0.786 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -89.14 23.23 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 40.65 77.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 9.8 mt -89.22 147.22 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.9 OUTLIER -80.42 135.12 36.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.656 ' OG ' ' CE2' ' A' ' 54' ' ' TYR . 0.7 OUTLIER -92.51 1.75 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.483 ' CD ' ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.04 -39.94 14.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.343 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.412 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -102.6 -46.55 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.412 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 28.6 m-90 -97.71 158.05 15.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.071 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.702 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.7 147.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.464 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . 11.9 t30 -89.99 -94.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 5.1 t70 176.24 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.12 -1.93 86.69 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.612 1.195 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.5 -46.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 72' ' ' ARG . 3.1 m -107.19 103.32 47.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 60.05 5.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.617 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -121.15 -58.02 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -39.93 138.83 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.4 p -90.1 56.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.464 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 26.5 p-10 -38.96 96.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -85.0 -16.84 39.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.64 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.0 t -90.13 -32.52 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.424 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 74.01 61.03 3.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.584 1.178 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -150.03 158.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.361 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.691 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 1.8 m-20 -70.77 123.79 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 66' ' ' ASN . 7.8 m -49.35 -48.31 46.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.245 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 t -54.42 -25.11 22.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -63.97 -12.24 35.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.662 HD12 ' HE1' ' A' ' 54' ' ' TYR . 15.0 mt -98.12 10.57 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.0 25.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -97.41 -164.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -88.2 -71.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.98 129.0 39.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ALA . 4.8 pt -82.95 3.67 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.9 t -42.98 -37.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.2 64.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -62.37 -35.87 80.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.465 HG23 ' HE2' ' A' ' 17' ' ' MET . 12.2 mt -74.02 -53.74 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.366 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 5.2 tp60 -54.05 -43.32 70.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 99' ' ' VAL . 7.3 t -69.26 -53.66 18.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -43.73 -47.41 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -70.84 -43.04 69.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.506 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.32 -17.97 63.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 110.365 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 42.4 t -91.4 -55.93 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -31.6 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -53.28 -25.01 13.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.489 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -74.28 177.98 1.89 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.1 Cg_endo -75.0 2.28 6.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -68.94 -62.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.82 163.66 14.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.135 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.637 HD12 HD22 ' A' ' 31' ' ' LEU . 9.5 mm -47.67 -30.06 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -31.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.06 -32.11 14.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.593 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 9.5 m-90 -102.81 66.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 113' ' ' ARG . 11.9 p -45.94 -25.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.682 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -47.74 -46.27 29.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.525 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -60.45 -33.58 72.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 107.997 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.48 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 47.9 ttt-85 -64.87 -14.75 60.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.18 32.96 4.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.89 -45.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.525 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.53 -54.03 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.241 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.57 -13.61 15.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.403 1.064 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -62.15 -66.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.77 -169.94 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -88.0 103.59 15.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.683 HD23 ' CB ' ' A' ' 30' ' ' CYS . 14.7 tp -101.43 21.75 13.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.1 t -73.92 -21.77 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.938 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.74 -9.4 58.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -33.19 62.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.606 HG21 ' HG ' ' A' ' 25' ' ' LEU . 3.7 pt -94.03 -36.05 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 15.6 tpt180 -75.94 103.65 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 161.69 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -24.79 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.341 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.13 31.33 3.11 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.538 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 38' ' ' TYR . 42.9 t -146.8 116.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -158.22 143.62 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.92 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' ARG . 9.8 pt-20 -101.31 177.84 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -38.14 -50.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -56.15 -77.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.407 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.3 mt-10 -35.98 -65.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.643 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 9.5 t80 -42.91 -51.09 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 111.034 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.42 -54.26 48.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.96 -56.24 9.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.422 1.076 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.1 m -54.91 -54.95 36.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.473 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.496 HD23 ' CA ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -45.72 -51.27 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HD2' ' HB3' ' A' ' 18' ' ' ALA . 1.5 tptt -68.57 -28.31 66.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' THR . 18.1 ttp180 -74.21 -26.38 60.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.3 t-20 -90.43 -40.9 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.09 50.0 0.75 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.146 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 -40.13 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.738 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -47.3 112.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 89.78 28.23 19.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 21' ' ' TYR . 30.2 t80 -47.53 178.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.68 -56.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.89 -63.83 0.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.834 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.6 t -43.64 120.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.497 0.763 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -89.63 146.83 24.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.971 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.738 HD13 ' CB ' ' A' ' 18' ' ' ALA . 20.8 tp -43.97 -46.21 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.34 94.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 49.0 m-20 -64.48 -37.15 86.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.834 ' CE2' HG11 ' A' ' 23' ' ' VAL . 11.9 m95 -65.76 -56.99 9.08 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.868 HG21 HG22 ' A' ' 125' ' ' ILE . 56.1 t -55.38 -59.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.871 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -50.53 -43.16 55.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.254 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.707 HD22 HD12 ' A' ' 106' ' ' ILE . 35.9 tp -62.27 -58.72 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . . . -56.94 -25.07 56.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' VAL . 43.5 tp60 -72.69 -55.44 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.417 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 2.6 t60 -60.84 -24.17 65.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.603 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.512 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 7.3 mm-40 -74.63 -59.38 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 7.6 t -176.76 -62.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' A' ' 39' ' ' ASN . 2.1 t-20 55.94 -169.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 3' ' ' TYR . 2.5 m-85 60.3 -74.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -122.41 138.56 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.598 HG21 ' OH ' ' A' ' 3' ' ' TYR . 42.7 p -81.65 59.61 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 43' ' ' THR . 2.0 ttp85 -102.45 -15.22 16.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.587 ' HB2' ' HB2' ' A' ' 36' ' ' SER . . . -51.86 92.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.628 HG22 ' HB2' ' A' ' 54' ' ' TYR . 7.5 p -138.26 134.38 34.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -149.97 92.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.793 ' HA ' HG23 ' A' ' 52' ' ' THR . 28.0 p90 -88.75 155.17 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -161.66 103.76 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' GLY . 8.5 ttp-105 -75.37 -30.36 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -32.98 -41.92 0.13 Allowed Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.468 1.105 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -133.15 34.52 3.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 0.722 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.517 ' HG3' HG21 ' A' ' 70' ' ' THR . 12.8 tm0? 36.14 61.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 22.6 p -144.86 129.14 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.793 HG23 ' HA ' ' A' ' 45' ' ' TYR . 87.8 m -125.21 126.7 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -108.74 103.6 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.679 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 p90 -152.67 162.91 40.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.64 156.02 9.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.516 HG12 ' CE1' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -47.42 -35.17 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.518 ' CZ ' ' CE3' ' A' ' 28' ' ' TRP . 10.8 m-85 -106.56 22.38 15.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 38.52 85.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 66.7 mt -104.6 145.04 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 52' ' ' THR . 2.7 m-80 -91.2 139.25 30.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' THR . 14.2 t -91.35 9.63 30.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.497 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.5 OUTLIER -89.58 -26.86 20.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -116.91 -53.17 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.701 ' CZ3' ' HB3' ' A' ' 76' ' ' ALA . 69.0 m95 -99.56 160.5 14.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 107.965 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.768 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.36 153.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.163 . . . . 0.0 108.294 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.84 169.8 13.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -128.18 -46.15 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.07 -0.3 69.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -90.92 -16.35 28.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.517 HG21 ' HG3' ' A' ' 50' ' ' GLN . 1.2 m -139.89 106.74 6.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 57.38 4.57 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.409 1.742 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.4 -51.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.477 ' HB2' ' OE1' ' A' ' 50' ' ' GLN . . . -44.59 159.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 74' ' ' VAL . 11.0 p -123.39 66.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 75' ' ' ASN . 5.0 p-10 -51.83 93.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.701 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -79.01 -8.68 59.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.509 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.2 t -90.68 -38.39 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.53 54.41 26.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.768 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.2 OUTLIER -144.28 158.21 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.79 . . . . 0.0 109.275 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.6 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 3.7 t30 -62.65 120.86 12.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.418 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 1.2 m -49.85 -46.42 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.307 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.52 -24.57 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -62.64 -13.47 32.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.121 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.679 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 43.4 mt -104.01 16.67 25.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.86 15.09 2.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -102.23 -168.96 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.83 -70.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -43.68 126.83 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.441 ' CG2' ' OH ' ' A' ' 3' ' ' TYR . 24.0 pt -91.16 2.55 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -43.49 -44.48 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . -72.3 -37.72 68.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.667 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -59.28 -43.91 92.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 22.7 mt -72.22 -49.7 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.26 -49.62 73.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -67.87 -42.75 80.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 108.284 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.73 -49.8 46.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 8.0 ptmt -71.22 -40.81 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -64.32 -21.46 66.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 95' ' ' CYS . 49.7 t -88.7 -58.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 96' ' ' ALA . 91.6 t -57.37 -28.71 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -19.01 3.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -79.88 176.85 3.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -74.96 3.02 5.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -70.51 -62.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.232 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 78.11 161.43 17.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.707 HD12 HD22 ' A' ' 31' ' ' LEU . 7.9 mm -40.34 -29.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.451 0.736 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.454 ' N ' ' C ' ' A' ' 105' ' ' GLY . 23.7 ttm-85 -41.53 -36.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.49 -35.02 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.512 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 22.4 m-90 -100.98 63.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' ARG . 7.7 p -39.53 -31.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 109' ' ' TRP . . . -44.7 -51.26 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.553 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.12 -37.59 77.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.471 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -64.93 -14.83 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.12 29.88 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.65 -47.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.25 -53.25 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 108.236 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.16 56.56 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -146.74 -65.92 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -123.51 -171.99 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.87 100.19 12.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' A' ' 30' ' ' CYS . 1.5 tt -96.1 15.23 21.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.4 m -74.14 -21.97 59.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -69.38 -11.43 60.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -37.96 37.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.868 HG22 HG21 ' A' ' 29' ' ' VAL . 1.3 pt -88.93 -31.58 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.377 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 127' ' ' ASN . 10.2 tpt180 -76.54 95.52 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 42.7 t30 171.62 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -24.08 60.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 111.55 34.16 2.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.325 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' ASN . 14.6 tttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.588 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 97.4 t -145.03 111.75 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 63.7 m-85 -162.81 140.37 8.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 5' ' ' ARG . 6.6 pt-20 -107.28 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -36.48 -63.65 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.2 m -49.58 -80.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -34.34 -64.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 4' ' ' GLU . 12.0 t80 -43.64 -47.96 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -59.06 -55.87 29.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -48.38 -58.83 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASN . 9.7 m -52.14 -53.3 44.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.69 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 1.1 mp -46.93 -53.39 12.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 1.9 tptm -64.58 -29.98 71.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -25.07 58.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.7 t30 -89.57 -41.27 12.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.59 36.47 1.42 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.473 ' HG3' ' CG2' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -116.53 -32.02 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -60.45 108.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.86 30.09 13.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.071 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.6 t80 -48.61 177.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -35.58 -56.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 111.033 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.18 -63.38 0.38 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 28' ' ' TRP . 12.2 t -47.83 120.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.88 149.99 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.942 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.744 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 2.8 tp -49.4 -43.78 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.86 94.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' HA ' ' SG ' ' A' ' 116' ' ' CYS . 65.9 m-20 -65.07 -39.05 92.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.79 ' CE2' HG11 ' A' ' 23' ' ' VAL . 24.2 m95 -62.54 -59.35 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.801 HG21 HG22 ' A' ' 125' ' ' ILE . 46.7 t -51.71 -62.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.85 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -44.98 -48.1 11.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 108.292 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.598 HD11 ' CG ' ' A' ' 109' ' ' TRP . 25.9 tp -55.82 -52.79 62.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.61 -20.36 66.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -73.83 -55.85 5.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.464 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.9 t-80 -70.89 -22.83 62.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.64 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -75.47 -62.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 110.231 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.484 ' OG ' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -162.86 -68.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 65.0 t30 74.98 171.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 65.1 m-85 59.0 -111.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -87.44 134.17 33.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.656 HG22 HD12 ' A' ' 56' ' ' ILE . 29.1 p -84.61 50.7 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.9 ttt-85 -78.68 -16.8 56.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.484 ' HB2' ' OG ' ' A' ' 36' ' ' SER . . . -47.72 103.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.55 HG22 ' CB ' ' A' ' 54' ' ' TYR . 2.9 p -144.0 140.12 29.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -151.18 95.54 2.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.609 1.193 . . . . 0.0 109.373 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.401 ' HA ' HG23 ' A' ' 52' ' ' THR . 20.2 p90 -90.69 149.91 21.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -160.3 103.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -80.54 -29.88 37.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.77 -34.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLN . 5.5 t70 -136.6 32.08 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' ASP . 5.2 tp-100 34.24 60.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 72.3 m -149.93 114.43 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.677 HG21 ' CE2' ' A' ' 54' ' ' TYR . 2.5 m -110.9 165.84 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.0 OUTLIER -150.27 112.89 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.677 ' CE2' HG21 ' A' ' 52' ' ' THR . 0.1 OUTLIER -150.94 171.13 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.76 157.96 11.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.656 HD12 HG22 ' A' ' 40' ' ' THR . 5.1 tt -54.6 -40.91 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.611 0.83 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -92.22 11.68 24.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 49.73 79.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 76.8 mt -99.5 145.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.15 138.93 30.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 8.8 t -92.85 4.62 53.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.51 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 2.2 ptt180 -88.76 -15.79 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -126.9 -52.89 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CE3' ' HB3' ' A' ' 76' ' ' ALA . 81.7 m95 -97.11 154.94 17.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.685 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.01 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.32 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.494 ' CA ' ' HB3' ' A' ' 75' ' ' ASN . 12.6 t30 -96.2 -96.5 0.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 1.6 t70 173.54 -47.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' H ' ' ND2' ' A' ' 66' ' ' ASN . . . 89.29 -1.02 81.92 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.47 1.106 . . . . 0.0 111.104 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.82 -43.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 0.722 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -108.4 101.61 43.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 71.04 5.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.485 1.782 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 73' ' ' ALA . 1.4 mmt180 -141.51 -55.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -38.41 137.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 0.0 109.223 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 74' ' ' VAL . 15.0 p -88.71 59.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.494 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 28.9 p-10 -44.32 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . . . -81.53 -12.83 58.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.551 ' HB3' HD12 ' A' ' 79' ' ' ILE . 18.5 t -90.68 -25.74 19.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.09 53.41 30.11 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.685 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -149.11 166.34 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.254 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -83.27 123.78 29.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.427 ' SG ' ' OH ' ' A' ' 54' ' ' TYR . 83.7 m -47.72 -31.48 4.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -29.65 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -65.79 -10.7 39.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 65' ' ' CYS . 2.3 mt -103.09 8.53 38.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 85' ' ' LEU . 9.7 tp -137.53 11.6 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -93.13 -171.41 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -69.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.92 133.14 43.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ALA . 9.4 pt -93.52 1.02 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -43.64 -36.31 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.643 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -73.52 -40.98 63.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.674 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.83 -40.04 91.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 11.4 mt -72.48 -50.84 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -56.53 -48.82 76.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.764 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.6 OUTLIER -67.58 -42.77 81.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 108.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -50.68 -49.37 57.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -69.44 -43.76 72.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.6 OUTLIER -61.69 -23.43 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 95' ' ' CYS . 75.8 t -85.26 -57.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 96' ' ' ALA . 58.0 t -60.62 -22.3 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 -64.82 -16.19 62.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.513 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -77.48 178.44 2.11 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.04 1.81 7.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -69.31 -61.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 80.55 157.46 15.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.569 HD13 ' CZ3' ' A' ' 109' ' ' TRP . 6.5 mm -42.24 -28.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -41.96 -35.5 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.81 -35.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.615 1.197 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CG ' HD11 ' A' ' 31' ' ' LEU . 17.2 m-90 -102.41 64.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 108.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' ARG . 95.9 t -44.38 -27.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -47.08 -47.62 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -58.91 -35.68 73.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 107.987 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 110' ' ' VAL . 26.2 ttt180 -65.0 -15.42 62.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.02 30.94 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.55 -44.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.575 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.521 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.47 -53.96 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.227 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -14.58 23.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.1 -71.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -134.98 -166.97 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.65 104.04 5.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.867 HD13 ' O ' ' A' ' 121' ' ' LEU . 1.5 tm? -98.35 15.69 23.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.4 t -82.17 -16.21 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -72.01 -16.62 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -78.85 -30.15 44.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.801 HG22 HG21 ' A' ' 29' ' ' VAL . 1.1 pt -98.48 -27.23 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 2.9 ttt180 -78.53 123.18 26.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 19.3 t30 74.85 24.98 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -82.06 -33.18 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.62 36.37 1.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.776 ' O ' HG22 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 45.5 t -126.03 121.29 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.526 ' CE2' HG23 ' A' ' 89' ' ' ILE . 69.9 m-85 -140.73 118.37 11.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 5' ' ' ARG . 1.3 pt-20 -97.78 166.59 11.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' GLU . 1.1 ptt-85 -34.6 -56.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLU . 75.9 m -54.01 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.33 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 6' ' ' CYS . 4.1 mt-10 -34.47 -64.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.647 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -40.78 -53.31 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.649 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -56.86 -55.86 29.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -47.69 -59.46 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ASN . 17.5 m -50.47 -55.72 14.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -45.81 -53.63 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -65.72 -26.52 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' THR . 36.4 ttt85 -76.62 -27.08 55.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.0 t30 -89.72 -42.8 11.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.39 59.66 0.49 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.578 ' SD ' ' CZ2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -129.75 -41.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 0.719 . . . . 0.0 111.018 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.97 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -57.9 123.07 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 94.63 20.4 29.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.6 t80 -49.22 -178.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 110.988 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.94 -42.26 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.424 1.077 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.3 -64.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.08 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.004 HG11 HG13 ' A' ' 106' ' ' ILE . 11.6 m -45.02 114.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.3 165.72 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.97 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 29.7 tp -47.62 -44.16 26.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.58 91.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' OD2' HG12 ' A' ' 23' ' ' VAL . 32.3 t0 -64.01 -39.82 94.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ2' ' SD ' ' A' ' 17' ' ' MET . 71.8 m95 -65.92 -60.96 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.037 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.78 HG21 HG22 ' A' ' 125' ' ' ILE . 75.7 t -48.48 -57.69 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.737 ' HB3' HD12 ' A' ' 121' ' ' LEU . 1.5 p -53.88 -47.3 71.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.652 HD11 ' CD2' ' A' ' 109' ' ' TRP . 3.8 tp -53.61 -56.51 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.647 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -61.72 -25.22 67.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -68.12 -52.4 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.172 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -66.87 -22.96 65.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -77.13 -64.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.1 t -163.99 -67.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.585 ' O ' ' N ' ' A' ' 39' ' ' ASN . 7.5 t-20 66.76 176.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 14.5 m-85 62.45 -62.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.585 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.5 m120 -113.6 136.81 52.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.8 ' HB ' HD12 ' A' ' 56' ' ' ILE . 6.8 t -108.16 47.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ttp-105 -120.45 19.48 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 0.0 110.309 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.835 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -50.22 119.47 3.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.917 HG22 ' CD2' ' A' ' 54' ' ' TYR . 5.8 p -150.15 131.72 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.7 t30 -151.27 103.04 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.713 ' HA ' HG23 ' A' ' 52' ' ' THR . 1.7 t80 -87.82 149.14 24.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -161.81 103.79 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.12 -31.97 39.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.85 -42.92 1.17 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.428 1.08 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -120.15 30.56 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 0.818 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' A' ' 49' ' ' ASP . 3.6 tp60 33.49 54.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.528 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 53.8 p -146.48 150.48 35.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.173 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.713 HG23 ' HA ' ' A' ' 45' ' ' TYR . 98.9 m -135.07 154.54 51.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -124.22 99.48 6.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.917 ' CD2' HG22 ' A' ' 43' ' ' THR . 3.5 m-85 -126.29 158.41 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.835 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 102.04 146.03 17.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.8 HD12 ' HB ' ' A' ' 40' ' ' THR . 13.4 tt -53.54 -32.81 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -89.43 21.4 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 40.64 67.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.7 mt -89.96 133.26 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.622 1.202 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.1 t-20 -77.44 133.67 38.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -90.47 5.57 47.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.528 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 18.5 ttt180 -91.72 -20.24 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -122.66 -48.66 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.525 ' O ' ' HA ' ' A' ' 61' ' ' SER . 8.1 m-90 -110.74 154.47 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.039 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.535 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.8 OUTLIER 55.71 167.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.505 ' OD1' ' HB3' ' A' ' 73' ' ' ALA . 14.1 t30 -159.21 -167.87 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -121.97 -52.82 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.86 1.26 17.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -101.79 -17.26 16.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.592 0.819 . . . . 0.0 109.33 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -124.41 90.83 50.36 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 68.98 5.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -145.07 -50.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.505 ' HB3' ' OD1' ' A' ' 66' ' ' ASN . . . -42.72 164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 74' ' ' VAL . 14.9 p -120.04 53.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -50.26 96.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.46 -12.38 60.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.537 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.7 t -90.58 -36.95 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.11 55.64 18.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.631 HD13 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -150.78 173.52 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' ALA . 7.0 m-20 -89.13 120.47 30.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.8 m -47.01 -30.37 2.59 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -38.96 75.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -61.13 -15.15 30.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 92' ' ' ALA . 17.2 mt -102.26 13.02 35.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.556 HD11 HG23 ' A' ' 43' ' ' THR . 0.8 OUTLIER -132.83 25.31 4.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.37 -165.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.349 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -76.28 -56.16 4.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 0.0 109.216 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -77.85 136.83 38.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.526 HG23 ' CE2' ' A' ' 3' ' ' TYR . 44.3 pt -87.05 3.74 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 t -44.5 -47.54 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.431 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 83' ' ' ALA . . . -68.59 -36.83 79.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.428 ' HA ' HD22 ' A' ' 84' ' ' LEU . . . -61.71 -48.23 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.3 mt -64.88 -48.58 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.408 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 1.5 tt0 -53.28 -45.62 68.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.4 t -70.62 -44.07 67.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.97 -49.97 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.538 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 22.0 pttt -70.12 -40.53 74.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.538 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 8.0 ttt180 -62.78 -25.0 68.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.521 HG22 ' CD1' ' A' ' 64' ' ' TRP . 17.5 t -85.9 -55.97 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.222 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -32.83 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -46.68 -27.83 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.302 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.485 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.18 177.65 1.67 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.07 -1.81 11.73 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -64.43 -61.91 1.93 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 0.0 110.354 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 77.27 153.21 5.53 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.004 HG13 HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -41.07 -29.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 0.805 . . . . 0.0 109.407 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' N ' ' C ' ' A' ' 105' ' ' GLY . 8.7 ttp180 -39.41 -35.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.18 -35.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.729 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 12.8 m-90 -90.48 57.12 3.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 113' ' ' ARG . 77.4 t -40.87 -29.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -45.28 -50.15 12.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.466 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -56.5 -39.48 73.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 107.99 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.466 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 9.3 ttp180 -61.72 -15.17 38.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.87 32.04 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.357 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.6 -45.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.67 -54.3 4.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 108.249 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.56 55.79 0.66 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -146.06 -61.63 0.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -170.07 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -88.58 99.53 12.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.852 HD13 ' O ' ' A' ' 121' ' ' LEU . 1.4 tm? -96.96 16.23 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.378 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.73 -27.43 40.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.71 -14.65 61.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -25.87 42.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.78 HG22 HG21 ' A' ' 29' ' ' VAL . 7.7 pt -101.83 -35.05 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.1 OUTLIER -74.85 122.5 23.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 45.6 t30 82.46 29.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' ILE . 0.3 OUTLIER -96.16 -32.89 12.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 111.92 38.4 1.41 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.595 1.185 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.562 0.801 . . . . 0.0 109.304 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 39' ' ' ASN . 2.4 t -146.92 127.13 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.907 ' CE2' HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -162.05 141.51 9.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.416 1.073 . . . . 0.0 111.04 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -109.44 174.08 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.92 -68.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -46.93 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.256 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -31.27 -68.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.816 ' CE1' ' CE2' ' A' ' 3' ' ' TYR . 1.6 t80 -42.53 -59.08 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.06 -51.46 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -63.1 -53.85 47.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.531 HG21 HD11 ' A' ' 89' ' ' ILE . 15.2 m -54.44 -54.35 42.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -54.51 -49.22 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -62.25 -29.23 70.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.83 -19.46 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -88.24 -40.71 13.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.01 41.87 1.62 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 ttt -122.42 -38.35 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.684 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -51.92 111.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 87.15 30.77 18.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' TYR . 22.6 t80 -47.92 178.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -33.86 -52.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.86 -64.52 0.2 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.672 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.5 t -44.6 122.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.14 151.79 21.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.79 ' O ' HG23 ' A' ' 29' ' ' VAL . 4.5 tp -47.46 -46.94 27.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.67 95.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -62.54 -37.64 86.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.672 ' CE2' HG11 ' A' ' 23' ' ' VAL . 59.6 m95 -65.87 -61.05 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 108.046 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 25' ' ' LEU . 12.3 t -50.54 -55.1 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.844 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -52.33 -49.84 63.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.449 1.093 . . . . 0.0 108.265 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 109' ' ' TRP . 1.5 tm? -48.89 -57.23 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.527 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -68.57 -20.69 64.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.388 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 29' ' ' VAL . 4.8 tm0? -66.12 -53.4 38.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' ND1' ' A' ' 115' ' ' HIS . 5.6 t-160 -64.09 -17.73 63.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.666 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 5.1 mm-40 -81.18 -66.69 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.8 p -164.07 -67.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.581 ' HA ' HD11 ' A' ' 56' ' ' ILE . 5.5 t30 73.69 170.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 3' ' ' TYR . 9.8 m-85 69.42 -58.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.422 ' HB3' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -138.7 131.58 29.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.6 HG22 HD12 ' A' ' 56' ' ' ILE . 18.3 p -76.66 54.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 110.381 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -6.7 58.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -52.11 103.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 1.067 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.1 p -147.47 123.95 11.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.456 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.78 101.24 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.414 ' HA ' HG23 ' A' ' 52' ' ' THR . 3.0 t80 -88.3 154.95 20.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -159.85 104.23 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -76.7 -34.73 58.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -37.15 -39.79 0.49 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.599 1.187 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 50' ' ' GLN . 36.5 t70 -125.33 33.04 5.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 49' ' ' ASP . 14.2 pt20 32.91 44.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 67.9 m -132.97 147.85 52.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.944 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.714 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.6 m -139.92 133.36 30.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 110.36 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -104.38 95.87 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 1.067 ' CD2' HG22 ' A' ' 43' ' ' THR . 5.0 m-85 -126.05 159.77 31.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 111.058 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.665 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 105.64 145.11 12.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.907 HD13 ' CE2' ' A' ' 3' ' ' TYR . 5.6 tt -51.13 -35.18 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.406 ' O ' ' NE1' ' A' ' 109' ' ' TRP . 22.2 m-85 -89.9 19.96 4.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' GLY . 3.6 tp60 42.27 69.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.1 mt -95.25 141.12 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' THR . 3.1 p30 -85.42 131.8 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.216 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' THR . 12.3 m -90.34 11.59 20.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.15 -19.99 24.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.362 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -126.22 -54.96 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.951 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 1.4 m95 -97.41 160.55 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.755 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 58.21 160.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.445 HD21 ' HB3' ' A' ' 73' ' ' ALA . 2.0 t-20 -140.42 -164.2 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -137.43 -51.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.2 -3.61 28.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -113.75 -13.3 12.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.9 m -121.25 86.78 43.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 55.33 3.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.54 -50.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.445 ' HB3' HD21 ' A' ' 66' ' ' ASN . . . -44.85 167.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 76' ' ' ALA . 14.3 p -119.99 47.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -41.24 96.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -84.76 -8.28 58.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.663 ' HB3' HD12 ' A' ' 79' ' ' ILE . 1.8 t -89.82 -30.7 17.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.436 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 64.68 51.21 53.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.755 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -150.39 134.27 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -63.47 119.65 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.734 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -46.09 -26.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 80' ' ' ASN . 3.1 m -54.82 -35.98 64.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.86 -18.85 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 81' ' ' CYS . 0.7 OUTLIER -106.62 18.59 21.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.67 -75.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -143.94 31.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.02 -67.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -168.1 -179.85 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.213 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.531 HD11 HG21 ' A' ' 11' ' ' THR . 2.6 pt -98.74 -17.81 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.4 -45.16 12.54 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.459 1.099 . . . . 0.0 110.485 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.85 82.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.707 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -63.2 -37.7 88.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.5 mt -71.97 -53.85 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -54.88 -47.08 74.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 110.363 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.519 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -69.5 -41.29 76.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 108.315 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -51.59 -48.04 63.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 3.8 ptpt -71.8 -43.56 65.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 2.7 ttt180 -63.22 -21.75 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 95' ' ' CYS . 26.5 t -88.63 -58.09 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -31.63 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -48.28 -27.57 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.604 1.19 . . . . 0.0 110.372 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.474 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -71.62 176.6 2.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.0 Cg_endo -75.09 2.08 7.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -68.25 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 76.3 160.77 10.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.545 HD13 ' CZ3' ' A' ' 109' ' ' TRP . 3.6 mm -41.0 -29.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -42.71 -34.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.3 -34.93 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.729 ' HB2' HD21 ' A' ' 31' ' ' LEU . 19.1 m-90 -98.93 64.43 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 113' ' ' ARG . 76.3 t -41.61 -29.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.504 ' HB1' ' ND1' ' A' ' 34' ' ' HIS . . . -46.35 -48.72 18.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.087 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.407 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -53.96 -37.98 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 107.995 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 110' ' ' VAL . 7.5 ttt180 -61.33 -15.83 39.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.273 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.03 32.87 4.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.599 ' ND1' ' CE1' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -146.63 -46.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.671 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -54.59 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 108.319 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.68 56.95 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -144.83 -58.38 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.61 -170.3 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -94.31 100.51 12.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.844 HD22 ' HB3' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -93.01 15.05 15.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -24.35 62.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -12.66 60.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.52 -33.89 54.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.571 HG22 HG21 ' A' ' 29' ' ' VAL . 1.2 pt -96.22 -34.53 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 127' ' ' ASN . 18.8 tpt180 -76.88 109.87 11.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 0.3 OUTLIER 163.68 -27.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -24.34 60.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.261 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 103.14 30.38 5.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.4 tptt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.3 t -147.26 118.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.226 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' TYR . 8.6 m-85 -163.21 137.89 6.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 5' ' ' ARG . 22.9 pt-20 -99.31 174.68 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.563 ' HA ' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -37.49 -65.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -45.82 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 108.334 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -35.26 -65.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 0.8 OUTLIER -40.7 -51.33 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.11 -57.26 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -52.42 -54.92 25.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.6 m -51.13 -52.76 40.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 2.3 mp -51.91 -56.67 12.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.617 ' HG2' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -61.05 -24.7 66.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' ARG . 1.3 ttt180 -81.91 -25.32 35.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.7 t30 -90.14 -44.02 10.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.22 42.33 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -124.04 -38.42 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 111.018 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.951 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -49.24 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' MET . . . 107.58 29.17 4.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.471 ' O ' ' C ' ' A' ' 21' ' ' TYR . 5.6 t80 -47.25 177.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.981 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -31.82 -44.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.77 -66.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.751 HG22 ' CD1' ' A' ' 28' ' ' TRP . 2.3 p -52.38 111.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -89.95 166.4 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.951 HD22 ' HB1' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -49.87 -31.53 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.76 67.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.621 ' HB3' HG23 ' A' ' 23' ' ' VAL . 54.0 t0 -65.71 -35.17 79.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.751 ' CD1' HG22 ' A' ' 23' ' ' VAL . 86.4 m95 -66.37 -58.93 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 25' ' ' LEU . 60.4 t -50.79 -59.06 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.781 ' HB3' HD22 ' A' ' 121' ' ' LEU . 1.2 p -52.92 -45.13 67.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.924 HD22 HD12 ' A' ' 106' ' ' ILE . 22.8 tp -55.13 -52.56 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . . . -66.44 -23.31 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' VAL . 35.2 tp60 -69.31 -53.2 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -64.83 -23.59 67.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.589 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 4.8 mm-40 -80.7 -59.66 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.365 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.78 -64.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 39' ' ' ASN . 4.9 t-20 65.42 179.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 5.5 m-85 61.3 -62.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.613 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.8 m-20 -127.62 145.26 50.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.729 HG22 HD12 ' A' ' 56' ' ' ILE . 52.8 p -98.15 55.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.54 ' O ' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -90.45 -19.97 23.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 54' ' ' TYR . . . -40.49 98.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 41' ' ' ARG . 5.1 p -136.95 129.26 29.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.465 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.41 89.12 1.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.657 ' CE2' HG21 ' A' ' 52' ' ' THR . 38.4 m-85 -90.3 158.68 17.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -162.03 104.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.3 ttm180 -74.16 -32.1 62.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.26 -35.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -139.18 32.96 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 49' ' ' ASP . 21.5 tp60 34.18 53.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 93.2 p -137.88 116.15 11.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.657 HG21 ' CE2' ' A' ' 45' ' ' TYR . 2.3 m -112.87 152.52 29.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -135.97 105.43 6.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.7 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 p90 -152.63 167.66 28.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.59 156.96 10.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.729 HD12 HG22 ' A' ' 40' ' ' THR . 1.2 tt -46.89 -38.52 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 18.5 m-85 -104.35 24.21 11.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 39.66 77.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.2 mt -96.17 149.86 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -90.61 135.37 33.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.66 0.61 57.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.423 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 1.3 ttt180 -88.07 -15.6 35.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.47 -60.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 111.021 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.887 ' CD2' HG22 ' A' ' 99' ' ' VAL . 84.2 m95 -92.36 159.51 15.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.532 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 60.09 154.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 1.5 t-20 -134.87 -170.82 2.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -127.98 -48.78 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.52 -0.36 37.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -131.22 12.54 5.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 0.79 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 70' ' ' THR . 1.4 m -129.76 88.76 48.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.47 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.52 5.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.44 -62.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.84 162.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' ALA . 8.2 p -123.0 59.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 4.8 p-10 -43.08 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -79.62 -10.06 59.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.9 t -91.32 -30.63 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.312 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.48 45.26 96.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.581 HD13 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -137.87 169.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' N ' HG12 ' A' ' 79' ' ' ILE . 4.3 m-20 -72.45 121.59 19.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.593 1.183 . . . . 0.0 109.378 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.429 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 1.3 m -51.02 -29.85 13.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 5.6 p -59.76 -23.59 63.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.889 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -65.91 -10.18 36.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.7 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 16.1 mt -101.9 6.08 41.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.6 tp -145.07 16.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 82' ' ' SER . 4.0 mm-40 -90.21 -172.45 3.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.17 -70.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -56.87 142.26 41.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 93' ' ' ILE . 4.8 pt -95.62 -0.09 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -42.81 -37.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.889 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -73.63 -43.45 59.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -56.6 -40.83 75.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 89' ' ' ILE . 8.7 mt -73.19 -53.93 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -54.64 -43.94 72.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.8 t -70.72 -43.66 68.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -51.55 -45.25 62.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -73.11 -44.43 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 12.4 tpt180 -60.75 -27.63 68.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 110.351 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.887 HG22 ' CD2' ' A' ' 64' ' ' TRP . 15.3 t -82.92 -56.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 102' ' ' ASP . 16.4 t -54.49 -30.54 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.46 -22.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.519 ' OD2' ' CG ' ' A' ' 104' ' ' GLN . 0.0 OUTLIER -57.95 174.82 0.31 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.224 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.94 -34.83 3.6 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.551 1.816 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.519 ' CG ' ' OD2' ' A' ' 102' ' ' ASP . 3.6 mm100 -56.84 -62.27 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 90.37 -178.49 43.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.924 HD12 HD22 ' A' ' 31' ' ' LEU . 4.0 mm -40.57 -29.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.581 0.812 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 105' ' ' GLY . 6.1 ttt180 -38.92 -38.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.04 -37.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.6 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 20.1 m-90 -96.71 67.01 2.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 113' ' ' ARG . 13.7 p -48.97 -23.33 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.79 -41.27 44.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.52 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -65.41 -30.95 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 107.946 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.496 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 34.6 ttt180 -66.94 -15.2 63.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.09 31.34 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 -44.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.74 -54.52 4.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 108.329 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -8.99 25.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -69.76 -64.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.45 -171.5 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -85.44 102.06 13.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.781 HD22 ' HB3' ' A' ' 30' ' ' CYS . 2.1 tt -91.72 14.03 16.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 m -72.17 -28.93 63.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -12.66 61.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -76.39 -33.58 58.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.8 pt -92.61 -39.75 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -69.48 101.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.0 OUTLIER 161.75 -27.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -24.84 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 108.349 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 104.81 29.06 5.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.778 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.564 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 76.4 t -121.52 137.94 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE2' HG12 ' A' ' 89' ' ' ILE . 7.4 m-85 -155.28 107.5 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.2 176.02 5.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.574 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -45.16 -48.75 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -58.27 -76.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 108.266 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -36.66 -65.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -47.22 -50.95 19.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.564 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -52.95 -50.58 63.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -57.43 -56.6 19.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ASN . 3.9 m -52.49 -56.07 17.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.591 HD23 ' HB2' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -48.83 -55.27 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -62.41 -26.1 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.8 tpt85 -81.09 -23.73 38.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -89.39 -42.53 11.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.44 51.98 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.02 -39.73 2.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.754 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.973 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -59.02 137.31 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.17 18.54 62.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' HB3' HG23 ' A' ' 23' ' ' VAL . 5.3 t80 -48.86 179.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 0.789 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -31.68 -45.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.932 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.84 -66.09 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.969 HG11 HG13 ' A' ' 106' ' ' ILE . 4.6 m -42.63 112.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.94 162.71 14.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 109.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.973 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 24.7 tp -46.11 -44.94 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.95 94.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.0 -38.13 89.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.469 ' CZ3' HD11 ' A' ' 106' ' ' ILE . 87.5 m95 -65.04 -63.09 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 108.026 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.577 HG21 ' CG2' ' A' ' 125' ' ' ILE . 2.8 t -45.53 -55.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.444 ' HB2' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -49.63 -59.88 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.265 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.618 ' CD1' HG23 ' A' ' 106' ' ' ILE . 4.6 tt -51.66 -41.54 61.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.502 ' HB1' ' ND2' ' A' ' 37' ' ' ASN . . . -66.88 -29.12 68.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 34.4 tp60 -72.59 -52.83 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.889 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 0.7 OUTLIER -58.02 -25.82 61.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.612 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.9 mm-40 -75.96 -64.63 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER 159.57 52.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.901 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 39' ' ' ASN . 1.9 t-20 -59.23 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 61.67 -62.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.614 1.196 . . . . 0.0 111.01 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.594 ' N ' ' O ' ' A' ' 37' ' ' ASN . 13.5 m120 -108.34 146.98 32.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.42 HG21 ' CD1' ' A' ' 3' ' ' TYR . 31.5 p -122.75 51.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.436 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -114.5 5.87 15.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.31 93.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.434 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 3.2 p -138.96 125.46 20.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.413 1.071 . . . . 0.0 110.439 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.4 92.28 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.453 ' HA ' HG23 ' A' ' 52' ' ' THR . 54.4 p90 -88.89 159.28 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -162.49 106.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 48' ' ' GLY . 1.1 tpp180 -75.66 -31.08 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.15 -37.35 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.3 t0 -136.97 34.69 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 70' ' ' THR . 7.7 tm0? 34.68 52.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 60.0 p -139.91 121.95 15.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.608 1.192 . . . . 0.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 61' ' ' SER . 2.1 m -117.49 131.24 56.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -108.82 103.37 12.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.619 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -153.21 169.05 23.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.047 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.34 148.07 9.66 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.451 1.094 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.474 ' CG2' ' HB1' ' A' ' 92' ' ' ALA . 0.9 OUTLIER -47.4 -33.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' GLN . 3.5 m-30 -105.5 31.04 5.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER 33.97 79.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.7 mt -105.41 142.7 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -87.49 140.27 29.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 52' ' ' THR . 4.5 m -90.7 1.84 56.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.963 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.513 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 6.4 ptm180 -88.62 -4.17 58.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -135.46 -44.74 0.68 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 76' ' ' ALA . 9.9 m-90 -108.93 162.04 14.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.012 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.759 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.6 OUTLIER 60.61 146.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.414 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 6.0 p30 -117.25 170.63 8.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -136.5 -58.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.1 3.25 36.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.84 -16.05 27.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.468 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 1.2 m -145.2 106.06 4.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.82 4.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.801 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 -46.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.2 160.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.571 ' O ' HG22 ' A' ' 74' ' ' VAL . 5.2 p -123.6 54.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -40.12 99.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.447 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . . . -84.38 -10.87 57.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.9 t -92.19 -37.82 12.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.309 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 67.75 53.94 21.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.759 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -148.51 151.19 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.8 . . . . 0.0 109.331 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 4.6 m120 -61.07 125.6 24.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.437 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 86.1 m -56.48 -36.03 68.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -25.03 19.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.432 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -62.01 -22.96 66.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 5.8 mt -96.65 7.39 46.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.33 19.72 12.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.2 -161.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -71.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.09 153.67 4.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.226 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 3' ' ' TYR . 7.8 pt -99.03 5.65 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.372 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.0 t -44.04 -32.44 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.4 55.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.474 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -62.22 -38.39 89.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.427 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 13.4 mt -73.3 -52.08 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 2.5 tp60 -56.34 -42.7 78.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 99' ' ' VAL . 3.3 t -70.62 -49.31 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 108.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.694 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -47.98 -45.49 31.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -72.01 -44.37 63.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.218 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 3.8 tpt180 -59.95 -24.52 64.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 95' ' ' CYS . 56.4 t -86.34 -55.46 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.075 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 96' ' ' ALA . 84.2 t -56.17 -27.52 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -52.09 -19.73 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.231 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.474 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -80.26 176.68 3.55 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.05 0.37 9.01 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.425 1.75 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.24 -63.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.461 ' HA2' HG13 ' A' ' 100' ' ' VAL . . . 79.6 160.82 21.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.969 HG13 HG11 ' A' ' 23' ' ' VAL . 1.2 mm -42.92 -28.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -40.7 -36.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.359 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.78 -35.85 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.61 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 9.6 m-90 -92.36 68.63 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 107.985 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 10.9 p -43.85 -27.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.889 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -49.33 -48.34 46.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.518 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -53.82 -28.6 36.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 108.027 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.466 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 9.6 ttp85 -69.21 -19.87 63.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -129.05 32.69 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.473 ' CG ' ' CD2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -150.72 -43.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.561 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 28.6 m -88.59 -62.89 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.73 55.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -128.88 -66.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.22 -168.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -85.39 97.35 9.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.862 HD13 ' O ' ' A' ' 121' ' ' LEU . 1.5 tm? -100.36 16.81 23.23 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -25.85 38.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -69.6 -9.74 55.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.574 ' CE2' ' HD2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -77.62 -35.55 52.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.577 ' CG2' HG21 ' A' ' 29' ' ' VAL . 4.3 pt -92.32 -36.49 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 23.5 tpt180 -64.32 102.89 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 162.35 -28.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -25.28 59.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 102.93 27.61 6.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.582 0.813 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.492 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.575 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 3.3 p -122.01 139.86 47.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.575 ' CD2' ' O ' ' A' ' 2' ' ' VAL . 3.2 m-85 -166.04 123.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' ARG . 10.0 pt-20 -103.93 167.4 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -38.85 -58.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -53.09 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.165 . . . . 0.0 108.274 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -35.62 -64.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 110.27 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 6.3 t80 -40.33 -55.99 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.92 -54.58 40.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -48.13 -59.83 3.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASN . 3.5 m -52.99 -56.8 13.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.401 HD21 ' CG ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -45.08 -49.38 11.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -32.15 73.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' THR . 12.5 ttt180 -74.16 -25.83 59.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.57 -40.09 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.24 48.92 0.74 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.21 -39.06 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.584 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -50.62 108.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.04 34.87 25.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' TYR . 55.0 t80 -47.76 176.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -35.84 -46.98 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -124.05 -56.87 0.18 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.421 1.076 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.779 HG11 ' CE2' ' A' ' 28' ' ' TRP . 39.9 t -50.22 124.44 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.431 0.724 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -90.37 146.74 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.584 HD22 ' HB1' ' A' ' 18' ' ' ALA . 11.2 tp -49.04 -45.02 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.86 -45.97 85.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.603 ' HA ' ' CE3' ' A' ' 112' ' ' TRP . 6.0 t0 -63.49 -34.27 77.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.779 ' CE2' HG11 ' A' ' 23' ' ' VAL . 7.5 m95 -64.13 -62.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.879 HG21 HG22 ' A' ' 125' ' ' ILE . 58.2 t -54.42 -59.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.353 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 33' ' ' GLN . 4.4 t -43.33 -57.68 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.957 HD11 ' CE3' ' A' ' 109' ' ' TRP . 3.0 tt -49.48 -48.14 48.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . . . -65.21 -23.76 67.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' VAL . 8.2 tp-100 -76.0 -57.64 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.462 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 34.3 t-80 -57.74 -26.19 61.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.671 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' OE2' ' NE1' ' A' ' 109' ' ' TRP . 8.3 mm-40 -75.3 -59.98 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.7 t -174.69 -63.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' A' ' 39' ' ' ASN . 7.7 t30 65.69 -175.75 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.575 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 16.0 m-85 62.14 -60.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.615 ' N ' ' O ' ' A' ' 37' ' ' ASN . 28.8 t-20 -139.75 154.57 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.729 HG22 HD12 ' A' ' 56' ' ' ILE . 7.7 p -102.03 51.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -82.6 -19.88 37.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 110.272 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 54' ' ' TYR . . . -45.92 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.499 ' HA ' ' CB ' ' A' ' 54' ' ' TYR . 6.6 p -138.08 121.11 16.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -140.71 89.59 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.205 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.568 ' HA ' HG23 ' A' ' 52' ' ' THR . 39.4 p90 -89.02 154.17 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -161.73 103.37 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.9 ttt180 -76.02 -31.94 59.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.55 -33.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -137.0 33.47 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HG2' HG21 ' A' ' 70' ' ' THR . 41.9 tp60 35.95 53.47 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.537 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 95.5 p -138.35 140.61 39.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.568 HG23 ' HA ' ' A' ' 45' ' ' TYR . 7.7 m -142.07 129.93 21.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER -112.58 105.92 14.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.699 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.4 p90 -153.79 166.05 34.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.12 152.93 9.46 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.729 HD12 HG22 ' A' ' 40' ' ' THR . 1.6 tt -49.23 -33.12 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.22 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.625 ' CD1' HD22 ' A' ' 31' ' ' LEU . 6.1 m-85 -104.43 21.63 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PHE . 2.4 tt0 38.53 82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.354 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.3 mt -108.1 147.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.4 OUTLIER -90.83 138.26 31.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' THR . 22.9 t -91.03 2.08 56.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.051 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.537 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 3.1 ptm180 -89.28 8.7 29.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -150.32 -48.31 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.434 ' O ' ' O ' ' A' ' 65' ' ' CYS . 20.9 m-90 -109.08 163.63 13.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 107.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.778 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.83 140.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 108.294 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.554 ' ND2' HD22 ' A' ' 75' ' ' ASN . 3.2 p30 -120.54 -178.78 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 24.6 t0 -132.92 -47.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.12 -1.75 54.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -114.67 -5.73 12.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.575 HG21 ' HG2' ' A' ' 50' ' ' GLN . 1.8 m -129.78 90.77 42.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.85 -56.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.45 160.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.655 ' O ' HG22 ' A' ' 74' ' ' VAL . 3.1 p -120.8 52.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.554 HD22 ' ND2' ' A' ' 66' ' ' ASN . 34.2 p-10 -38.09 97.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.175 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -84.28 -12.29 54.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.529 ' SG ' HD12 ' A' ' 79' ' ' ILE . 19.1 t -90.22 -38.01 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 108.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.16 56.32 10.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.778 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -145.64 149.45 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.581 0.812 . . . . 0.0 109.271 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.433 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 12.4 m-20 -57.23 124.5 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.425 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 3.1 m -51.24 -34.75 33.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 108.268 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.507 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 0.2 OUTLIER -59.7 -25.2 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.77 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -62.29 -15.13 45.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.699 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 17.9 mt -98.73 2.66 47.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.75 11.73 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 82' ' ' SER . 2.0 mm-40 -90.37 -172.33 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.55 -71.28 0.5 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.409 1.068 . . . . 0.0 109.33 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -53.27 126.44 21.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.788 HD11 HD11 ' A' ' 93' ' ' ILE . 2.0 pt -86.43 1.91 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.77 -35.95 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.77 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -75.43 -40.28 57.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -59.66 -40.65 88.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.788 HD11 HD11 ' A' ' 89' ' ' ILE . 7.9 mt -74.95 -52.59 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.488 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 4.4 tp60 -56.23 -43.34 78.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 99' ' ' VAL . 11.1 t -69.85 -53.72 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.347 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -43.6 -48.4 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.546 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 5.1 pttt -72.01 -40.15 68.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.546 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 8.1 tpt180 -63.03 -23.31 67.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 42.9 t -88.71 -57.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.98 -27.37 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -19.34 3.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.5 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -75.52 177.93 2.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.04 1.83 7.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.83 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 83.37 158.59 26.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.773 HD12 HD12 ' A' ' 31' ' ' LEU . 7.8 mm -41.38 -27.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.45 0.735 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 105' ' ' GLY . 7.5 ttt180 -35.28 -34.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 106' ' ' ILE . . . -44.73 -35.73 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.957 ' CE3' HD11 ' A' ' 31' ' ' LEU . 16.0 m-90 -104.62 50.31 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' A' ' 113' ' ' ARG . 12.2 p -42.7 -24.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.474 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -44.44 -49.08 9.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.743 ' CE3' ' CB ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -59.22 -35.37 73.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 108.085 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -76.07 -9.27 58.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.218 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.01 29.45 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.3 OUTLIER -152.56 -46.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.612 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.891 ' SG ' HD13 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -89.36 -50.27 6.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -63.51 59.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 116' ' ' CYS . 4.9 t30 -156.88 -44.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.51 -170.23 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -96.14 99.41 11.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.891 HD13 ' SG ' ' A' ' 116' ' ' CYS . 0.8 OUTLIER -100.54 17.73 20.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -22.89 56.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 123' ' ' GLN . 8.7 tp60 -72.38 -13.74 61.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -31.0 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.879 HG22 HG21 ' A' ' 29' ' ' VAL . 2.0 pt -99.51 -34.35 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 7.2 tpt180 -82.36 110.36 17.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.7 OUTLIER 160.49 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -24.2 59.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 108.54 33.05 2.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 38' ' ' TYR . 74.3 t -131.2 124.89 56.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.762 ' CZ ' HD13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -158.38 156.88 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.421 ' HA ' ' OD1' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -120.83 -177.78 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.51 -64.75 0.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 7' ' ' GLU . 75.2 m -44.47 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 108.4 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.1 mm-40 -32.26 -65.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.732 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 t80 -44.63 -55.44 5.21 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.423 1.077 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.602 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -49.96 -51.66 39.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.94 -57.54 11.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASN . 14.1 m -54.55 -54.17 44.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.35 -51.73 18.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HD2' HG11 ' A' ' 130' ' ' VAL . 28.1 tttt -66.17 -29.46 69.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -75.75 -24.74 56.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -89.45 -39.93 13.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.97 45.71 0.74 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.451 ' SD ' ' CD1' ' A' ' 20' ' ' TYR . 48.2 tpp -123.22 -38.35 2.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 0.802 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.605 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -50.13 110.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.72 32.95 23.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.451 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 15.8 t80 -49.22 179.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -36.41 -50.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.16 -60.42 0.2 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.747 HG11 ' CE2' ' A' ' 28' ' ' TRP . 11.1 t -49.2 121.39 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.9 t -90.23 147.21 23.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.605 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 16.4 tp -46.08 -45.81 16.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HA ' HG21 ' A' ' 125' ' ' ILE . . . -59.9 -40.2 87.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 5.3 m-20 -65.48 -38.02 88.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.747 ' CE2' HG11 ' A' ' 23' ' ' VAL . 27.7 m95 -63.55 -58.15 7.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.853 HG21 HG22 ' A' ' 125' ' ' ILE . 43.1 t -52.35 -62.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.656 ' CB ' HD23 ' A' ' 121' ' ' LEU . 1.1 p -49.21 -45.45 44.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 108.38 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.537 HD11 ' CG ' ' A' ' 109' ' ' TRP . 33.8 tp -55.53 -54.45 43.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.377 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.26 -18.9 65.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.456 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 29.7 tp60 -72.75 -56.64 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -66.87 -19.44 65.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -78.56 -66.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -158.97 -70.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 2.5 t-20 67.32 172.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.865 ' O ' HG13 ' A' ' 2' ' ' VAL . 9.0 m-85 71.62 -58.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 2' ' ' VAL . 12.0 t-20 -134.2 150.13 51.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 1.06 HG22 HD12 ' A' ' 56' ' ' ILE . 10.4 p -111.21 67.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 43' ' ' THR . 34.3 ttm180 -112.98 -2.19 14.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -40.46 102.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.642 HG21 HD11 ' A' ' 85' ' ' LEU . 9.2 p -146.25 115.38 7.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.21 96.9 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.678 ' HA ' HG23 ' A' ' 52' ' ' THR . 28.8 p90 -87.47 155.6 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -161.6 104.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -31.08 62.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -36.5 -36.3 0.15 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -130.37 32.72 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 49' ' ' ASP . 36.4 tp60 35.09 53.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.548 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 85.8 p -145.1 154.79 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.783 HG22 ' CD1' ' A' ' 54' ' ' TYR . 10.9 m -146.5 130.47 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' HB3' ' NE2' ' A' ' 58' ' ' GLN . 23.1 m-20 -95.91 92.83 6.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.783 ' CD1' HG22 ' A' ' 52' ' ' THR . 3.2 m-85 -122.21 156.33 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.629 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 100.47 144.32 15.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.06 HD12 HG22 ' A' ' 40' ' ' THR . 16.4 tt -51.63 -31.76 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -89.48 21.25 3.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 53' ' ' ASP . 7.5 tp60 38.81 67.36 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.1 mt -93.07 136.42 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.4 m-80 -81.35 131.42 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 6.7 t -83.07 7.23 16.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.548 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 5.0 ptm180 -91.38 11.28 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -151.18 -48.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.073 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CE2' HG22 ' A' ' 99' ' ' VAL . 13.9 m95 -119.88 155.22 33.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.017 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.442 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 61.99 132.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 108.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -161.75 -166.75 1.53 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.411 ' OD2' ' CB ' ' A' ' 69' ' ' LYS . 1.7 t0 -118.58 -53.57 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.26 -2.24 20.67 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' CB ' ' OD2' ' A' ' 67' ' ' ASP . 2.4 tttp -99.25 -8.03 25.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.632 0.842 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.587 ' O ' HG23 ' A' ' 70' ' ' THR . 8.3 t -108.94 103.4 51.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.15 3.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.22 -68.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -173.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -150.54 97.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' ND2' ' H ' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -67.36 63.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -55.41 -17.92 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 1.4 t -88.18 -29.99 20.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.381 1.051 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 79' ' ' ILE . . . 67.04 53.58 25.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -152.6 149.56 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.561 0.8 . . . . 0.0 109.229 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' SER . 2.2 m-20 -75.64 124.28 26.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.813 ' HA ' HD12 ' A' ' 84' ' ' LEU . 71.8 m -45.85 -27.16 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' ASN . 5.6 t -55.57 -39.17 70.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -18.92 27.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -100.24 13.63 33.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 43' ' ' THR . 0.4 OUTLIER -129.86 23.26 5.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -119.74 -168.09 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.3 -62.12 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.44 112.14 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' ALA . 20.3 pt -86.57 2.41 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.82 -36.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.87 -42.32 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.12 -40.03 88.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.2 mt -71.12 -49.6 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.13 -48.84 75.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -68.33 -41.33 80.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.285 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -50.93 -50.68 57.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 13.1 pttt -69.71 -43.77 71.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.486 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -61.62 -23.29 65.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.54 HG22 ' CE2' ' A' ' 64' ' ' TRP . 14.1 t -85.53 -57.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.66 -28.23 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -52.38 -20.15 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.472 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -78.38 176.59 3.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.227 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -74.97 0.96 8.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -66.97 -60.84 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 107' ' ' ARG . . . 76.54 157.8 7.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.621 HG13 HG22 ' A' ' 23' ' ' VAL . 4.3 mm -39.45 -30.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.241 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 105' ' ' GLY . 25.6 ttt180 -40.11 -36.2 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.26 -35.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.537 ' CG ' HD11 ' A' ' 31' ' ' LEU . 25.4 m-90 -97.88 62.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 113' ' ' ARG . 63.3 t -40.26 -30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 109' ' ' TRP . . . -44.87 -50.22 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.01 -39.72 75.28 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.49 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -63.12 -15.4 56.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.395 1.06 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.45 30.92 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.84 -47.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.638 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.4 OUTLIER -89.38 -53.41 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.356 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.77 55.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -141.92 -62.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.57 -170.0 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -88.8 100.08 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.656 HD23 ' CB ' ' A' ' 30' ' ' CYS . 13.1 tp -101.03 20.12 16.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -72.4 -25.34 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.13 -12.49 60.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -28.64 56.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.853 HG22 HG21 ' A' ' 29' ' ' VAL . 1.1 pt -106.0 -31.45 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -78.22 131.52 37.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 72.26 22.5 3.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -89.18 -35.76 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 108.346 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 175.75 -33.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.503 HG11 ' HD2' ' A' ' 13' ' ' LYS . 53.2 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.483 ' N ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.449 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 95.5 t -95.55 128.97 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.587 ' O ' ' N ' ' A' ' 38' ' ' TYR . 2.3 m-85 -164.48 102.62 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 5' ' ' ARG . 7.2 pt-20 -109.46 172.32 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.573 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 15.5 ptt-85 -37.07 -56.61 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.0 m -55.54 -80.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 108.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' CYS . 2.1 mm-40 -34.01 -65.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.601 ' CE1' HG21 ' A' ' 56' ' ' ILE . 8.9 t80 -42.83 -49.6 5.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -55.05 39.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' ARG . 18.3 ttt85 -48.42 -55.69 10.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ASN . 12.5 m -53.96 -54.71 35.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.445 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.59 -53.32 11.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -26.09 66.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 10' ' ' ARG . 57.6 ttt180 -76.74 -24.32 53.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.1 t-20 -89.04 -40.86 12.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.23 50.94 1.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.1 tpt -118.04 -36.46 3.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.573 0.807 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.844 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -62.91 152.47 36.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 85.56 10.76 76.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' GLY . 1.4 t80 -46.94 177.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.76 -55.86 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -122.56 -65.79 0.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 28' ' ' TRP . 4.4 p -45.0 105.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASP . 58.3 p -90.2 161.94 15.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.574 1.171 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.844 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 21.0 tp -43.59 -45.45 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.42 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.55 ' OD1' ' CD1' ' A' ' 112' ' ' TRP . 37.6 t0 -63.17 -39.37 94.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.715 ' CD1' HG22 ' A' ' 23' ' ' VAL . 87.3 m95 -65.87 -59.69 3.6 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.611 HG21 ' CG2' ' A' ' 125' ' ' ILE . 32.4 t -45.6 -56.66 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.53 ' HB3' HD12 ' A' ' 121' ' ' LEU . 5.9 p -57.51 -48.4 79.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 57' ' ' PHE . 2.7 tm? -50.18 -49.68 51.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.646 ' HB2' ' HE1' ' A' ' 57' ' ' PHE . . . -76.22 -20.1 57.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.583 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 4.5 tm0? -66.64 -53.18 36.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.624 ' CG ' ' HB1' ' A' ' 111' ' ' ALA . 3.5 t60 -56.3 -21.71 25.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.2 mm-40 -81.78 -62.52 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER 157.63 72.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.04 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.576 ' CG ' ' O ' ' A' ' 37' ' ' ASN . 5.4 p30 -71.96 107.18 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CZ ' ' HB2' ' A' ' 39' ' ' ASN . 2.5 p90 174.92 -33.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.639 ' HB2' ' CZ ' ' A' ' 38' ' ' TYR . 3.3 m120 -150.38 160.71 43.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 1' ' ' LYS . 0.7 OUTLIER -119.84 44.7 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 43' ' ' THR . 14.7 ttt180 -114.8 -20.74 10.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' ARG . . . -38.86 106.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.988 HG22 ' HB2' ' A' ' 54' ' ' TYR . 4.8 p -138.54 146.86 42.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 53' ' ' ASP . 1.8 m120 -151.39 93.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.423 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 46.5 p90 -92.08 162.51 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -162.47 104.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . 13.9 ttt180 -76.97 -29.58 55.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -32.79 -36.81 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' ARG . 11.1 t0 -139.0 35.13 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.2 tp-100 34.96 55.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.547 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 97.0 p -143.91 110.0 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.567 HG21 ' CE2' ' A' ' 54' ' ' TYR . 1.2 m -105.88 164.22 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -152.0 114.72 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.988 ' HB2' HG22 ' A' ' 43' ' ' THR . 0.1 OUTLIER -152.02 176.73 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.63 156.64 23.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.601 HG21 ' CE1' ' A' ' 8' ' ' PHE . 1.2 mm -47.29 -45.84 9.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.548 0.793 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.646 ' HE1' ' HB2' ' A' ' 32' ' ' ALA . 33.2 m-85 -89.48 16.93 6.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 40.4 71.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 53' ' ' ASP . 10.6 mt -88.21 143.97 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.436 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 11.4 t-20 -86.6 139.12 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.431 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -92.66 -0.54 57.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.65 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 13.8 ttt-85 -88.76 -29.83 19.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -106.65 -65.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 111.033 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.481 ' O ' ' C ' ' A' ' 65' ' ' CYS . 26.7 m-90 -69.51 -125.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.58 1.175 . . . . 0.0 107.933 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -36.11 150.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.435 ' CG ' ' HB3' ' A' ' 75' ' ' ASN . 1.9 m-20 -135.1 179.25 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -108.46 -56.74 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.17 -4.56 26.94 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -95.99 -10.04 29.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 0.736 . . . . 0.0 109.237 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 70' ' ' THR . 3.4 t -130.27 92.16 36.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.38 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 55.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.42 -46.35 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.65 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -57.82 -164.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 63' ' ' TYR . 3.1 p -150.25 84.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.379 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 38.7 p-10 -55.7 99.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.56 -21.85 41.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.39 -32.78 16.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.41 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 66.23 57.68 10.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.41 ' CG2' ' C ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER -148.86 162.24 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.03 130.4 40.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 61' ' ' SER . 1.3 m -63.4 -37.42 87.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -26.58 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.465 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -63.06 -26.4 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.587 ' N ' HD23 ' A' ' 84' ' ' LEU . 3.3 mt -91.89 6.95 44.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.252 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.01 24.81 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.61 -164.55 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -60.94 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.38 161.99 15.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 92' ' ' ALA . 3.5 pt -103.02 6.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -43.76 -34.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.5 -40.25 67.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -64.62 -37.72 88.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 12.7 mt -71.87 -48.99 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -55.38 -49.23 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.676 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.6 t -68.27 -44.18 76.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.415 1.072 . . . . 0.0 108.288 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -51.44 -50.02 60.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -68.63 -40.76 80.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.395 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.53 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 2.0 tpt180 -66.22 -20.57 66.16 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 95' ' ' CYS . 42.7 t -86.83 -54.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.603 HG22 HG12 ' A' ' 106' ' ' ILE . 70.2 t -58.76 -34.84 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -67.4 -15.4 63.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.527 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -83.67 179.13 2.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.527 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.5 Cg_endo -74.91 3.8 5.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -78.02 -62.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 75.9 149.84 2.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.696 HD13 ' CZ3' ' A' ' 109' ' ' TRP . 2.6 mm -42.31 -28.59 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.218 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 105' ' ' GLY . 3.8 ttt180 -39.75 -36.3 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.367 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.8 -35.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.696 ' CZ3' HD13 ' A' ' 106' ' ' ILE . 12.2 m-90 -96.87 65.82 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 108.028 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 113' ' ' ARG . 8.7 p -40.33 -29.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.624 ' HB1' ' CG ' ' A' ' 34' ' ' HIS . . . -43.78 -51.17 7.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.55 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -55.61 -40.61 72.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 107.983 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 110' ' ' VAL . 18.4 ttt85 -61.0 -14.47 23.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.34 33.84 4.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -150.61 -45.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.478 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -89.0 -54.18 4.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.307 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 56.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -148.16 -58.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.42 -169.75 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.15 101.54 14.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.895 HD13 ' O ' ' A' ' 121' ' ' LEU . 1.9 tm? -90.72 9.84 28.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -23.57 53.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -69.31 -13.69 62.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -77.42 -33.25 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.611 ' CG2' HG21 ' A' ' 29' ' ' VAL . 7.7 pt -92.7 -35.79 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.7 OUTLIER -60.19 109.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 51.9 t30 81.6 25.22 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -93.57 -34.79 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 171.72 -33.08 0.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.245 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 38' ' ' TYR . 11.5 t -90.39 128.06 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 38' ' ' TYR . 33.2 m-85 -134.69 116.25 14.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.84 169.34 8.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 -68.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -45.38 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 108.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -35.01 -66.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.345 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.452 ' CD1' HD13 ' A' ' 12' ' ' LEU . 3.7 t80 -41.85 -49.62 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.19 -56.04 27.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -50.0 -57.13 8.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.0 m -51.03 -53.8 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.705 HD21 ' CD1' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -48.85 -57.36 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -63.39 -23.53 67.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 10' ' ' ARG . 5.8 tpt180 -80.03 -25.14 40.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.1 t30 -89.14 -43.38 11.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.46 40.75 0.84 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' A' ' 20' ' ' TYR . 32.8 tpp -121.1 -37.46 2.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 0.819 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.036 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -43.16 105.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 97.6 31.5 6.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.599 1.187 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 4.4 t80 -44.22 174.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.63 -32.48 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.52 1.137 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -150.02 -43.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.657 ' CG1' ' CE2' ' A' ' 28' ' ' TRP . 27.9 t -67.11 114.69 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.87 156.19 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 0.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.036 HD22 ' HB1' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -54.86 -37.08 65.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.07 -53.73 53.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.701 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -64.31 -35.22 80.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.705 ' CD1' HD21 ' A' ' 12' ' ' LEU . 9.6 m95 -57.26 -53.63 55.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 107.982 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' GLN . 87.0 t -60.98 -54.75 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -51.15 -45.64 61.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.73 HD11 ' CD2' ' A' ' 109' ' ' TRP . 13.5 tp -60.86 -60.98 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.1 -27.64 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 38' ' ' TYR . 16.0 tp60 -69.61 -54.23 14.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.776 ' CE1' ' HB1' ' A' ' 111' ' ' ALA . 3.3 t60 -55.68 -26.32 44.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.647 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' CD1' ' A' ' 109' ' ' TRP . 5.5 mm-40 -80.65 -64.59 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.44 -67.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.633 ' HA ' HD11 ' A' ' 56' ' ' ILE . 18.1 t30 57.58 -164.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.635 ' CE2' ' NE2' ' A' ' 33' ' ' GLN . 33.5 m-85 62.81 -61.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -135.24 127.98 31.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 1' ' ' LYS . 53.3 p -69.68 57.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -109.4 2.75 20.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -54.25 98.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 1.007 HG22 ' CD2' ' A' ' 54' ' ' TYR . 3.0 p -148.53 123.97 10.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -150.5 100.53 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.405 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 45.4 p90 -88.8 154.21 20.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -161.34 105.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -30.92 56.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.82 -44.15 1.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -121.67 30.56 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 0.728 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' ASP . 52.3 tp60 36.66 47.42 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 p -135.07 150.6 50.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.648 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.7 m -142.84 132.43 23.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -103.31 99.34 9.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 1.007 ' CD2' HG22 ' A' ' 43' ' ' THR . 4.5 m-85 -128.0 158.82 36.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 101.61 148.15 21.04 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 37' ' ' ASN . 9.4 tt -51.64 -33.13 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . 18.3 m-85 -91.69 20.3 5.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' GLY . 2.0 tp60 39.04 66.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.5 mt -89.26 137.1 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' OD1' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 p-10 -81.0 132.3 35.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.408 1.068 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.1 t -90.39 14.85 11.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -19.32 26.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . 1.7 m-85 -134.53 -47.96 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CE2' HG13 ' A' ' 99' ' ' VAL . 6.2 m0 -93.57 159.66 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.664 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.7 OUTLIER 52.33 177.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -151.69 -169.49 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -129.19 -50.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.96 -0.0 10.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -145.36 35.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 70' ' ' THR . 3.2 t -132.64 83.21 54.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 53.66 3.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -150.47 -50.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.99 160.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.612 ' O ' HG22 ' A' ' 74' ' ' VAL . 5.2 p -120.72 49.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' VAL . 38.0 p-10 -37.38 101.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB3' ' HD1' ' A' ' 64' ' ' TRP . . . -81.91 -19.82 40.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.637 1.21 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.633 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.0 t -88.94 -32.5 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.452 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.21 50.92 54.31 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.538 1.149 . . . . 0.0 111.066 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -151.14 145.08 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -64.19 124.91 22.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.837 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -51.58 -25.72 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -33.07 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.955 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.92 43.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 81' ' ' CYS . 2.2 mt -100.35 2.41 42.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.748 HD11 HG23 ' A' ' 43' ' ' THR . 0.4 OUTLIER -115.41 20.33 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -95.33 -163.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -87.23 -50.74 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -73.4 118.4 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ALA . 18.2 pt -82.21 2.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -43.24 -40.73 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.85 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.588 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.31 -39.33 92.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.171 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 15.7 mt -73.81 -51.75 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.427 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 20.3 tt0 -55.69 -43.09 76.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.3 t -73.03 -43.41 62.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -53.22 -40.03 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 11.1 ptmt -77.87 -44.29 27.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.48 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.1 tpt85 -59.45 -26.58 65.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.491 HG13 ' CE2' ' A' ' 64' ' ' TRP . 44.1 t -89.91 -56.1 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.395 1.06 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 102' ' ' ASP . 3.3 t -52.36 -28.49 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -45.29 -23.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -67.6 176.69 1.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -74.95 -26.83 10.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -87.93 -63.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.431 ' CA ' ' HA ' ' A' ' 100' ' ' VAL . . . 46.67 -116.51 2.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.68 HG23 ' CE3' ' A' ' 112' ' ' TRP . 8.1 mm -43.64 -42.3 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.49 -32.11 3.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.93 -34.09 58.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.73 ' CD2' HD11 ' A' ' 31' ' ' LEU . 6.3 m-90 -98.82 62.73 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 108.024 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 109' ' ' TRP . 7.9 p -39.17 -35.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.776 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -39.51 -52.4 2.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.701 ' CZ2' ' HB3' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -48.29 -59.76 3.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 1.183 . . . . 0.0 107.945 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.53 -18.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 111' ' ' ALA . . . -127.39 34.5 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 16.7 t60 -150.82 -55.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.583 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.5 OUTLIER -87.51 -52.26 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.22 57.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' CYS . 3.8 t30 -149.35 -50.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.42 -170.49 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -91.22 104.1 16.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.959 HD13 ' O ' ' A' ' 121' ' ' LEU . 2.1 tm? -89.3 13.45 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 t -79.38 -16.5 56.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.7 -12.64 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.203 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.64 -38.62 25.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.8 pt -88.75 -38.74 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.422 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 5.4 tpt180 -63.31 99.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER 161.71 -27.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -24.36 60.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 101.03 28.73 6.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -142.15 140.71 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.801 ' CD1' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -145.8 135.52 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.981 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.52 160.39 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.83 -65.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.525 ' O ' ' C ' ' A' ' 7' ' ' GLU . 78.3 m -45.52 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 108.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -28.92 -68.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.843 ' CE1' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -44.67 -53.49 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . -50.6 -51.73 45.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -57.57 -52.51 65.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' ASN . 11.4 m -57.59 -55.56 33.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.752 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -48.82 -50.26 35.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -65.25 -31.07 72.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -76.94 -23.27 52.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.1 t-20 -88.61 -40.23 13.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.2 65.74 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.105 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.3 tpp -149.38 -42.25 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 111.082 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.946 ' HB1' HD13 ' A' ' 25' ' ' LEU . . . -55.45 118.19 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.4 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.6 26.64 41.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.598 1.186 . . . . 0.0 111.061 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 21' ' ' TYR . 27.0 t80 -48.55 178.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -36.14 -53.09 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -116.65 -57.86 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.713 HG11 ' CE2' ' A' ' 28' ' ' TRP . 5.3 t -47.2 120.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 0.768 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -90.12 141.75 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.946 HD13 ' HB1' ' A' ' 18' ' ' ALA . 14.9 tp -43.94 -43.08 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.76 97.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.641 ' OD2' HG21 ' A' ' 106' ' ' ILE . 57.2 t0 -64.3 -39.17 93.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.713 ' CE2' HG11 ' A' ' 23' ' ' VAL . 28.5 m95 -61.3 -59.61 5.02 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 25' ' ' LEU . 38.5 t -57.53 -59.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.443 ' SG ' HD22 ' A' ' 121' ' ' LEU . 13.9 t -46.78 -56.74 5.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 108.299 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.823 HD13 HD12 ' A' ' 106' ' ' ILE . 5.3 tt -47.9 -52.37 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -63.83 -24.04 67.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' VAL . 2.0 tt0 -70.89 -53.73 14.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -64.16 -24.2 67.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -75.87 -63.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -154.9 -71.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.055 . . . . 0.0 110.051 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.666 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . 3.4 t30 60.67 166.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.578 ' O ' HG22 ' A' ' 2' ' ' VAL . 1.7 m-85 64.55 -60.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 37' ' ' ASN . 9.1 m120 -112.73 146.51 38.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.53 HG22 HD11 ' A' ' 56' ' ' ILE . 1.5 p -121.89 52.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.466 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -119.01 8.32 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.09 107.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 54' ' ' TYR . 0.8 OUTLIER -143.02 130.19 20.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.0 m-80 -150.28 91.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.748 ' HA ' HG23 ' A' ' 52' ' ' THR . 34.3 p90 -88.47 155.81 19.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -159.2 104.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -78.11 -30.77 49.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -33.82 -36.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -135.15 33.86 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' ASP . 38.8 tp60 34.32 55.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.529 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 19.5 p -144.1 103.75 4.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.748 HG23 ' HA ' ' A' ' 45' ' ' TYR . 20.2 m -98.96 128.58 45.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.1 m-20 -110.23 106.2 15.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.699 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 1.6 p90 -153.5 166.15 33.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.18 152.06 9.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.53 HD11 HG22 ' A' ' 40' ' ' THR . 0.2 OUTLIER -51.23 -29.18 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -105.01 16.67 25.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 41.82 84.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.75 146.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' A' ' 52' ' ' THR . 2.7 t-20 -91.84 142.28 27.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' THR . 29.7 t -91.63 4.79 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.529 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.07 -11.28 44.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -131.4 -42.95 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.919 ' CD1' HG22 ' A' ' 99' ' ' VAL . 30.1 m-90 -108.67 166.32 10.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.814 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 57.86 160.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.345 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -145.83 -169.28 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -133.2 -56.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.48 -0.1 30.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -120.92 5.29 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 70' ' ' THR . 14.5 t -146.67 91.89 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.85 5.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.52 -50.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.57 146.31 49.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 74' ' ' VAL . 7.4 p -104.85 58.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -40.28 98.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.95 -13.71 57.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.475 ' HB3' HD12 ' A' ' 79' ' ' ILE . 3.3 t -90.53 -35.23 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.7 54.91 16.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.814 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -147.04 155.95 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.664 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 2.2 m-80 -63.36 130.7 45.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.443 ' CA ' ' OH ' ' A' ' 54' ' ' TYR . 22.0 m -55.43 -45.19 76.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -21.94 12.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -63.28 -22.6 66.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.699 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 75.0 mt -96.75 12.05 33.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.51 28.4 4.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.92 -163.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -64.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.13 155.52 38.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 8' ' ' PHE . 22.6 pt -95.73 7.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.11 -39.92 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.76 -37.92 67.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.62 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -62.11 -37.15 84.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 14.1 mt -75.34 -54.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 11.9 tm0? -54.9 -45.13 74.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' VAL . 7.2 t -69.41 -53.11 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -43.89 -45.1 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 1.3 pttt -74.25 -41.25 61.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 5.5 tpt180 -62.92 -23.58 67.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.919 HG22 ' CD1' ' A' ' 64' ' ' TRP . 39.5 t -89.0 -58.21 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.723 HG21 HG12 ' A' ' 106' ' ' ILE . 0.3 OUTLIER -53.26 -31.89 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 101' ' ' ARG . 1.0 OUTLIER -44.95 -28.25 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 110.321 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.482 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -53.3 177.54 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.04 -25.86 11.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.815 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.444 ' CG ' ' HB3' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -52.63 -92.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.462 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 125.45 163.54 11.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.823 HD12 HD13 ' A' ' 31' ' ' LEU . 2.2 mm -39.7 -29.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 105' ' ' GLY . 1.7 tmm_? -37.73 -37.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.575 ' CE3' HD13 ' A' ' 106' ' ' ILE . 24.7 m-90 -95.85 49.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 108.004 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' ARG . 9.5 p -39.46 -29.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' TRP . . . -40.64 -51.27 3.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.687 ' CE3' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.64 -47.22 82.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 108.027 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -68.46 -7.41 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.0 32.01 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.6 OUTLIER -151.76 -51.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.648 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.832 ' SG ' HD22 ' A' ' 121' ' ' LEU . 1.3 m -89.19 -55.89 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 108.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 116' ' ' CYS . 2.1 tp60 -35.3 -32.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 116' ' ' CYS . 15.7 t30 -50.93 -53.92 28.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 116' ' ' CYS . 1.0 OUTLIER -130.23 -168.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -95.51 102.75 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.832 HD22 ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -97.02 18.57 14.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.0 m -68.98 -17.95 64.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -76.27 -8.53 57.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -75.28 -27.97 59.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.722 HG21 ' HG ' ' A' ' 25' ' ' LEU . 1.7 pt -103.96 -29.0 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 1.4 tpt180 -71.6 119.74 16.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 48.4 t30 82.26 26.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -98.65 -31.21 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 114.86 36.35 1.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.317 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.0 t -125.46 130.03 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.824 ' OH ' HG21 ' A' ' 11' ' ' THR . 0.3 OUTLIER -127.53 106.28 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 5' ' ' ARG . 10.5 pt-20 -100.9 165.61 11.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.53 1.144 . . . . 0.0 110.238 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.541 ' HD2' ' CE2' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -37.52 -57.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' GLU . 72.7 m -55.08 -80.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -33.52 -64.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.38 1.05 . . . . 0.0 110.281 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.524 ' CE2' ' CB ' ' A' ' 32' ' ' ALA . 10.2 t80 -45.03 -50.28 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -56.47 -51.78 67.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' HB2' HG22 ' A' ' 130' ' ' VAL . 29.4 ttp180 -51.48 -55.1 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.824 HG21 ' OH ' ' A' ' 3' ' ' TYR . 19.8 m -55.88 -56.39 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.437 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.46 -51.74 11.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -69.33 -26.31 64.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' THR . 2.5 tpt85 -74.28 -25.83 59.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -89.64 -39.93 12.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.61 43.94 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.61 -38.04 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 110.993 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.949 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -49.2 105.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 87.43 34.93 9.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.411 1.069 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 21' ' ' TYR . 44.0 t80 -48.31 179.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 0.79 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.508 ' HB2' ' CD2' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -32.0 -54.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.03 -65.11 0.27 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.616 HG11 ' CE2' ' A' ' 28' ' ' TRP . 23.3 t -40.6 129.23 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.29 156.62 18.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.949 HD13 ' CB ' ' A' ' 18' ' ' ALA . 33.8 tp -61.46 -46.3 90.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -55.78 -46.8 77.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.419 1.074 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.609 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 25.8 m-20 -66.83 -35.87 81.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.182 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.616 ' CE2' HG11 ' A' ' 23' ' ' VAL . 2.2 m95 -58.79 -50.18 74.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.637 HG21 HG22 ' A' ' 125' ' ' ILE . 6.7 t -63.0 -59.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.627 ' HB2' HD23 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -48.83 -49.75 37.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.247 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.893 HD11 ' CG ' ' A' ' 109' ' ' TRP . 25.3 tp -53.11 -54.2 39.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.524 ' CB ' ' CE2' ' A' ' 8' ' ' PHE . . . -60.52 -27.23 67.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.52 -54.37 17.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.616 1.198 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.427 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 21.2 t-80 -61.2 -22.77 65.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.1 -59.26 2.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.1 t -170.5 -65.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.555 ' HA ' HD11 ' A' ' 56' ' ' ILE . 21.0 t30 46.12 -159.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.7 m-85 58.58 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.066 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.2 m120 -108.86 140.21 42.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 1' ' ' LYS . 30.8 p -91.38 51.42 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 0.0 110.412 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -123.1 17.6 9.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.502 ' HB3' ' C ' ' A' ' 55' ' ' GLY . . . -54.93 93.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.915 HG22 ' CD2' ' A' ' 54' ' ' TYR . 3.1 p -145.76 116.24 7.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -150.58 101.25 2.93 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.416 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 25.3 p90 -87.9 160.94 17.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -159.18 103.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -72.4 -32.75 66.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.34 -34.95 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -137.16 34.71 2.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 tp60 36.37 40.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 45.1 p -122.78 151.71 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.565 ' CG2' ' CD1' ' A' ' 54' ' ' TYR . 2.2 m -143.82 130.83 20.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.439 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -100.9 97.28 7.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.915 ' CD2' HG22 ' A' ' 43' ' ' THR . 3.2 m-85 -125.39 160.18 30.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.502 ' C ' ' HB3' ' A' ' 42' ' ' ALA . . . 96.41 143.89 15.8 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.53 1.143 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 37' ' ' ASN . 11.9 tt -51.05 -29.75 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' GLN . 26.7 m-85 -89.71 20.32 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 37.46 64.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 mt -91.16 137.0 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 52' ' ' THR . 1.0 OUTLIER -81.67 137.45 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 52' ' ' THR . 1.5 m -91.26 4.34 52.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.489 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.61 -4.28 58.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.34 -54.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.602 ' CD1' HG22 ' A' ' 99' ' ' VAL . 11.7 m-90 -105.18 134.79 47.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 107.958 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.506 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 63.15 133.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 108.337 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.653 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -161.22 -171.03 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.653 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 6.2 t70 94.83 -10.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.5 -2.42 34.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -150.99 -68.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 13.7 t -149.99 137.26 11.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.482 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 70' ' ' THR . 18.4 Cg_endo -74.95 58.53 4.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 73' ' ' ALA . 9.4 ttt85 -110.49 -39.61 4.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.577 ' HB3' ' OD1' ' A' ' 66' ' ' ASN . . . -52.63 -174.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.24 73.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -55.33 100.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . . . -76.69 -20.29 56.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.375 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.596 ' HB3' HD12 ' A' ' 79' ' ' ILE . 2.4 t -91.63 -29.71 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.441 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 65.8 53.09 32.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 77' ' ' CYS . 0.1 OUTLIER -150.58 164.83 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.474 0.75 . . . . 0.0 109.307 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.39 127.9 34.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.5 ' HA ' HD12 ' A' ' 84' ' ' LEU . 77.5 m -51.98 -31.05 27.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 108.313 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 p -53.02 -36.5 60.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.43 -28.78 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 81' ' ' CYS . 0.9 OUTLIER -98.37 10.61 40.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 tp -115.82 26.88 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -118.06 -167.29 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -78.53 -64.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -53.46 116.33 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ALA . 37.5 pt -81.76 2.57 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -43.15 -35.66 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.21 -42.0 60.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.05 -40.67 90.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 7.9 mt -72.54 -50.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 1.4 tm0? -56.28 -45.12 80.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.618 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.8 t -70.0 -42.83 72.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 108.253 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -52.75 -46.05 67.31 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -71.2 -44.91 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -62.23 -22.69 66.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 95' ' ' CYS . 39.9 t -85.65 -56.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -31.23 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -25.8 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.492 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.1 177.49 1.72 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.2 Cg_endo -75.05 0.37 9.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -66.14 -61.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.458 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 76.16 160.06 9.48 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.581 1.176 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.749 HG21 ' CZ3' ' A' ' 112' ' ' TRP . 1.4 mm -39.64 -29.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 0.722 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -41.74 -38.37 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.221 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.4 -37.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.893 ' CG ' HD11 ' A' ' 31' ' ' LEU . 32.4 m-90 -92.12 56.19 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.047 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 109' ' ' TRP . 5.4 p -34.66 -36.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -42.04 -56.74 2.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.749 ' CZ3' HG21 ' A' ' 106' ' ' ILE . 0.9 OUTLIER -51.01 -58.32 6.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -50.03 -18.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 112' ' ' TRP . . . -129.12 34.75 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 3.7 t-80 -151.04 -54.59 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.651 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.593 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -87.37 -48.62 7.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 108.338 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -69.47 57.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' CYS . 5.7 t-20 -147.73 -54.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.09 -170.4 2.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -95.36 100.3 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 124' ' ' TYR . 6.6 tp -101.24 21.05 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.6 m -73.11 -28.25 62.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.62 -10.96 56.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.664 ' CD1' HD11 ' A' ' 121' ' ' LEU . 1.1 t80 -76.86 -27.1 54.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.637 HD13 HD23 ' A' ' 25' ' ' LEU . 1.4 pp -112.89 -33.06 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -76.33 119.28 20.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 4.2 t-20 80.23 26.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -83.99 -28.1 27.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 114.23 35.15 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.43 HG22 ' HB2' ' A' ' 10' ' ' ARG . 22.4 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.555 ' N ' ' CE2' ' A' ' 3' ' ' TYR . 33.5 mttt . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 2' ' ' VAL . 13.5 p -92.31 106.57 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.555 ' CE2' ' N ' ' A' ' 1' ' ' LYS . 47.1 m-85 -137.61 130.7 30.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 5' ' ' ARG . 15.9 pt-20 -121.23 175.65 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.267 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -32.74 -61.26 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -51.29 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.248 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -33.63 -66.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.496 ' CZ ' ' CZ ' ' A' ' 57' ' ' PHE . 0.3 OUTLIER -39.03 -50.58 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.527 ' HB2' ' CG2' ' A' ' 29' ' ' VAL . . . -60.79 -56.14 24.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -48.05 -57.22 6.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 15' ' ' ASN . 8.1 m -53.37 -52.29 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.461 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.46 -53.88 12.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -66.17 -27.74 68.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -76.5 -25.37 54.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -89.15 -42.27 11.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.5 43.01 2.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.43 ' CE ' ' CZ2' ' A' ' 28' ' ' TRP . 1.4 tmm? -111.62 -31.31 7.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 0.753 . . . . 0.0 111.061 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' A' ' 25' ' ' LEU . . . -67.28 150.73 48.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 85.05 12.4 74.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' GLY . 1.8 t80 -46.33 176.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -35.09 -56.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -119.31 -66.28 0.29 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.609 HG22 ' CD1' ' A' ' 28' ' ' TRP . 6.1 p -45.53 110.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.6 m -91.22 164.8 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.073 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.882 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 31.6 tp -49.48 -43.94 45.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.62 98.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 49.1 m-20 -62.4 -40.24 95.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CD1' HG22 ' A' ' 23' ' ' VAL . 73.8 m95 -64.98 -61.17 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.846 HG21 HG22 ' A' ' 125' ' ' ILE . 85.2 t -50.27 -58.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.861 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -51.94 -42.68 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 108.329 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.922 HD22 HD12 ' A' ' 106' ' ' ILE . 9.8 tp -59.62 -59.52 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' HB1' ' CE2' ' A' ' 8' ' ' PHE . . . -59.37 -22.49 61.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.4 OUTLIER -71.83 -55.87 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.91 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.1 t-80 -60.89 -24.64 66.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.569 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.5 mm-40 -72.56 -63.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.68 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 1.3 m 155.05 69.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.937 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.783 ' O ' ' HB3' ' A' ' 38' ' ' TYR . 3.2 p-10 -61.74 136.28 57.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.783 ' HB3' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER 154.7 -124.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.568 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -92.63 139.56 30.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.4 p -70.74 53.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -100.68 0.46 39.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . -53.53 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 1.002 HG22 ' CD2' ' A' ' 54' ' ' TYR . 2.3 p -142.39 119.91 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -150.16 97.28 2.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.684 ' HA ' HG23 ' A' ' 52' ' ' THR . 50.1 p90 -87.99 160.46 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' SER . 78.5 m-20 -162.05 105.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -34.95 63.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -39.77 -40.04 1.48 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -119.97 31.17 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' ASP . 16.1 pt20 31.87 47.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.496 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 54.1 m -142.25 154.3 44.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.76 HG22 ' CD1' ' A' ' 54' ' ' TYR . 6.2 m -142.07 132.02 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.46 96.35 7.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 1.002 ' CD2' HG22 ' A' ' 43' ' ' THR . 3.9 m-85 -125.33 159.33 32.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.599 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . 103.69 151.56 22.4 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 tt -54.27 -38.11 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.496 ' CZ ' ' CZ ' ' A' ' 8' ' ' PHE . 19.1 m-85 -89.21 23.65 2.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 38.8 67.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.7 mt -93.01 138.76 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.8 OUTLIER -79.6 128.0 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 64' ' ' TRP . 10.4 m -88.05 15.19 7.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 110.016 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.496 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -89.24 -11.28 44.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ALA . 1.6 t80 -139.76 -47.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.592 1.183 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.443 ' CD1' HG22 ' A' ' 99' ' ' VAL . 8.3 m-90 -93.75 143.95 25.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 108.01 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.5 OUTLIER 58.17 160.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 75' ' ' ASN . 1.4 m-20 -146.36 -172.27 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -138.07 -55.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.05 -3.11 14.41 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.73 -19.98 22.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.753 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 70' ' ' THR . 1.4 t -124.82 94.76 43.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 57.94 4.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.18 -45.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.83 176.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.552 ' O ' HG22 ' A' ' 74' ' ' VAL . 2.6 p -142.86 64.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' HB3' ' CB ' ' A' ' 66' ' ' ASN . 9.2 p-10 -40.3 99.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' TYR . . . -75.49 -20.76 58.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.424 ' SG ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -89.27 -26.11 21.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.28 45.44 96.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.424 HD13 ' SG ' ' A' ' 77' ' ' CYS . 0.0 OUTLIER -138.17 153.56 26.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 83' ' ' ALA . 11.0 p-10 -69.16 119.02 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.766 ' HA ' HD12 ' A' ' 84' ' ' LEU . 33.2 m -46.83 -28.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.317 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -37.41 71.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 80' ' ' ASN . . . -57.85 -20.98 40.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.766 HD12 ' HA ' ' A' ' 81' ' ' CYS . 1.4 mt -94.15 6.53 48.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.683 HD11 HG23 ' A' ' 43' ' ' THR . 0.1 OUTLIER -136.74 34.75 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -113.22 -157.32 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 110.376 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -59.11 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -71.88 118.52 14.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 92' ' ' ALA . 15.4 pt -81.1 1.79 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.4 t -40.96 -36.84 0.71 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.575 1.172 . . . . 0.0 110.448 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.59 -43.77 53.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.641 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -60.02 -37.86 80.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.474 HD11 HD11 ' A' ' 89' ' ' ILE . 10.6 mt -73.76 -52.15 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.465 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 1.5 tt0 -57.29 -45.9 83.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.9 t -68.64 -45.43 71.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 108.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -49.36 -51.33 35.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 7.9 pttt -69.86 -40.49 75.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.503 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 18.6 ttt180 -62.83 -22.34 66.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 24.1 t -88.81 -57.63 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.446 HG22 ' HZ3' ' A' ' 109' ' ' TRP . 77.4 t -58.72 -24.76 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 101' ' ' ARG . 5.0 mtp-105 -60.53 -13.15 12.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -61.25 169.77 2.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 49.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.31 -86.6 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 107' ' ' ARG . . . 127.11 168.05 12.45 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.922 HD12 HD22 ' A' ' 31' ' ' LEU . 2.4 mm -39.91 -29.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 106' ' ' ILE . 3.9 tmt_? -33.77 -36.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 106' ' ' ILE . . . -40.24 -37.09 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.492 ' CD1' ' OE2' ' A' ' 35' ' ' GLU . 24.1 m-90 -96.14 65.58 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.026 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 113' ' ' ARG . 73.7 t -40.1 -30.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.91 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -45.27 -49.52 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.486 ' CE3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -57.49 -39.0 75.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 108.051 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.486 ' N ' ' CE3' ' A' ' 112' ' ' TRP . 32.2 ttt-85 -61.7 -15.31 39.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -125.85 31.49 5.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.52 -46.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.447 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.78 -53.39 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -71.24 56.98 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -146.84 -60.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 -169.91 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -93.17 101.32 13.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.861 HD22 ' HB3' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -96.3 15.19 21.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.21 -24.88 61.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -69.65 -13.21 62.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.528 ' CE2' ' HG3' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -77.55 -30.82 52.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.846 HG22 HG21 ' A' ' 29' ' ' VAL . 23.2 pt -89.7 -41.19 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -72.62 101.26 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 1.0 OUTLIER 160.67 -25.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.381 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -25.81 62.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.62 30.82 3.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.368 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 52.0 t -103.93 134.77 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.85 ' CE1' ' CG ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -151.73 139.5 19.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 5' ' ' ARG . 12.4 pt-20 -111.66 160.78 16.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -35.26 -59.15 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 7' ' ' GLU . 79.7 m -50.35 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.6 mm-40 -30.67 -66.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.359 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.85 ' CG ' ' CE1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -44.36 -53.68 6.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.69 51.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -54.46 -59.15 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 15' ' ' ASN . 20.1 m -52.04 -55.22 22.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.098 . . . . 0.0 110.362 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -54.08 10.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -64.51 -27.47 68.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -78.47 -22.42 47.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 11' ' ' THR . 7.7 t30 -88.95 -40.39 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.54 38.76 1.06 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.543 ' HE2' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -120.17 -35.49 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.851 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -52.1 102.24 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 90.29 34.98 7.72 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.543 ' CD1' ' HE2' ' A' ' 17' ' ' MET . 25.9 t80 -47.49 177.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -34.35 -59.33 0.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.401 1.063 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.44 -63.72 0.49 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.784 HG11 ' CE2' ' A' ' 28' ' ' TRP . 12.6 t -45.58 125.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 t -90.25 144.09 26.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.165 . . . . 0.0 110.014 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.851 HD13 ' CB ' ' A' ' 18' ' ' ALA . 15.9 tp -45.85 -44.53 14.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.33 89.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 61.2 m-20 -64.7 -37.78 88.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.784 ' CE2' HG11 ' A' ' 23' ' ' VAL . 25.3 m95 -63.94 -60.31 3.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' GLN . 17.3 t -52.4 -60.33 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.962 ' HB3' HD12 ' A' ' 121' ' ' LEU . 0.6 OUTLIER -48.98 -45.46 42.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.338 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.615 HD22 ' CD1' ' A' ' 106' ' ' ILE . 18.5 tp -58.13 -66.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.704 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.34 -27.5 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' HA ' ' HB2' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -68.74 -52.77 27.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.495 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 0.6 OUTLIER -73.11 -20.21 60.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.59 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' A' ' 109' ' ' TRP . 4.2 mm-40 -73.59 -61.91 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.427 ' OG ' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -153.75 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.598 ' OD1' ' CE1' ' A' ' 3' ' ' TYR . 14.4 t-20 71.63 170.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 3' ' ' TYR . 55.3 m-85 60.57 -115.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 1' ' ' LYS . 1.8 p30 -87.18 131.5 34.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 1.008 HG22 HD13 ' A' ' 56' ' ' ILE . 17.8 p -82.77 60.77 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' THR . 2.3 ttt-85 -92.29 -5.23 52.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.427 ' HB2' ' OG ' ' A' ' 36' ' ' SER . . . -50.42 93.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 54' ' ' TYR . 11.6 p -139.84 135.75 33.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.13 99.02 2.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.409 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 39.3 p90 -88.94 149.32 23.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 51' ' ' SER . 79.0 m-20 -161.39 100.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -77.72 -30.34 51.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 110.388 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -35.94 -33.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' GLN . 1.3 t0 -135.49 33.39 3.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 0.757 . . . . 0.0 109.377 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER 35.53 51.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.234 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.53 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 50.0 p -138.54 147.82 43.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 60' ' ' ASN . 1.2 m -139.82 133.22 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.88 101.59 10.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.668 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -153.55 166.01 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 110.987 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.59 159.18 10.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.564 1.165 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.008 HD13 HG22 ' A' ' 40' ' ' THR . 10.7 tp -51.97 -35.79 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.659 ' CD2' HG23 ' A' ' 56' ' ' ILE . 63.1 m-85 -109.69 26.35 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 42.09 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.1 mt -118.44 152.05 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' THR . 0.7 OUTLIER -88.52 133.58 34.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.412 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 27.5 t -90.54 6.17 44.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.954 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.53 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 36.9 ttt-85 -88.82 -14.85 36.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.45 -39.52 1.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.868 ' CZ3' ' HB3' ' A' ' 76' ' ' ALA . 88.6 m95 -106.5 158.68 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.557 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 58.8 158.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 108.282 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.487 ' HB2' ' CB ' ' A' ' 75' ' ' ASN . 2.3 t-20 -135.92 -170.99 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 27.5 t0 -132.16 -46.39 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.11 -2.54 55.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -120.69 -1.03 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.583 0.813 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -128.2 90.16 47.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.423 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.72 4.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.778 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.62 -59.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.81 161.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 74' ' ' VAL . 7.6 p -120.1 62.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 5.3 p-10 -49.06 101.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.868 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -86.69 -10.6 53.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.0 t -89.31 -38.48 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.01 57.69 7.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -147.75 165.26 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.578 0.811 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.448 ' N ' HG12 ' A' ' 79' ' ' ILE . 11.4 m-80 -74.3 121.04 20.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.441 ' O ' ' OH ' ' A' ' 54' ' ' TYR . 8.3 m -49.83 -37.89 32.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 108.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -54.59 -22.68 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.06 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -64.3 -14.74 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.668 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 20.8 mt -101.27 12.51 37.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.62 13.24 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -96.88 -170.53 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -84.25 -72.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -47.37 133.23 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.453 HD12 ' CE1' ' A' ' 8' ' ' PHE . 16.0 pt -92.58 0.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.3 t -45.24 -40.77 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.439 ' CB ' ' HB1' ' A' ' 83' ' ' ALA . . . -69.56 -37.71 77.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.635 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -63.58 -39.32 94.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 32.6 mt -70.75 -51.72 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -54.69 -49.49 70.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.5 OUTLIER -67.39 -40.95 85.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.886 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -51.26 -50.03 60.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 94' ' ' GLN . 2.8 pttt -69.04 -45.66 69.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.434 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 7.5 ttt85 -60.3 -22.67 63.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 102' ' ' ASP . 7.8 t -85.66 -56.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 96' ' ' ALA . 13.4 t -58.1 -25.18 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -20.31 22.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.5 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -71.9 177.17 1.8 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.4 Cg_endo -75.0 0.43 8.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.25 -61.5 1.89 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 106' ' ' ILE . . . 80.38 152.57 8.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.615 ' CD1' HD22 ' A' ' 31' ' ' LEU . 1.3 mm -40.07 -34.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.54 -37.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.07 -36.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.408 ' C ' ' N ' ' A' ' 111' ' ' ALA . 21.6 m-90 -95.47 62.69 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 113' ' ' ARG . 36.4 t -41.63 -28.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -46.86 -50.31 18.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -36.28 69.47 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -68.16 -14.63 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.02 31.02 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.423 ' CG ' ' CD2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -149.83 -44.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 109.615 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -54.87 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 108.353 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -17.76 7.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -57.61 -67.25 0.35 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -136.98 -158.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -91.34 105.62 17.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.962 HD12 ' HB3' ' A' ' 30' ' ' CYS . 1.2 tm? -97.46 17.07 18.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.7 t -75.59 -28.69 59.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -63.02 -12.51 26.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -76.28 -30.0 57.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 128' ' ' CYS . 7.7 pt -95.16 -35.22 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 7.5 tpm_? -74.2 122.07 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 8.0 t-20 78.86 24.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -88.07 -28.6 21.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.311 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 109.35 36.11 2.17 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.552 1.157 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.325 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.451 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 68.1 t -112.49 105.23 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 1.091 ' CZ ' HG22 ' A' ' 89' ' ' ILE . 7.2 m-30 -105.62 100.61 10.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.41 ' HG2' ' HB2' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -94.15 152.59 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.421 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 11.3 ptt-85 -46.11 -58.82 3.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -46.57 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -33.09 -65.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.636 ' CE1' ' CD1' ' A' ' 12' ' ' LEU . 32.5 t80 -45.66 -52.5 10.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.67 -52.44 63.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -51.2 -64.39 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.536 ' O ' ' N ' ' A' ' 15' ' ' ASN . 18.1 m -46.11 -52.94 11.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.636 ' CD1' ' CE1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -48.31 -60.31 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -59.37 -24.86 63.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -84.12 -19.95 33.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 11' ' ' THR . 3.7 t-20 -88.92 -41.99 12.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.81 33.05 1.61 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.48 ' HE1' ' CE1' ' A' ' 20' ' ' TYR . 11.0 mmt -116.59 -36.19 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.023 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -52.16 111.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.44 34.37 14.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CE1' ' HE1' ' A' ' 17' ' ' MET . 2.4 t80 -53.73 -172.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 0.813 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -36.23 -31.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -155.11 -62.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.933 HG11 HG13 ' A' ' 106' ' ' ILE . 6.2 m -51.87 107.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.205 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.1 m -90.87 170.07 10.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 110.045 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.023 ' CD2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -50.26 -29.73 10.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.32 -52.51 61.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.624 ' HA ' ' CZ3' ' A' ' 112' ' ' TRP . 0.0 OUTLIER -64.74 -34.78 79.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CZ3' HD11 ' A' ' 106' ' ' ILE . 91.6 m95 -68.46 -60.82 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.002 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 25' ' ' LEU . 94.1 t -55.16 -55.45 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.532 ' HB2' HD22 ' A' ' 121' ' ' LEU . 18.0 t -50.01 -55.7 13.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 108.324 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.966 HD11 ' CD2' ' A' ' 109' ' ' TRP . 2.8 tt -48.43 -46.86 38.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -65.62 -29.53 70.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -68.13 -52.15 37.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.242 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.998 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 1.1 t-80 -59.23 -25.81 64.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.5 -60.49 2.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' ASN . 25.2 t -175.69 -50.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 39' ' ' ASN . 6.9 t30 47.87 -173.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' TYR . 3.0 m-85 62.38 -59.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.4 m120 -122.95 142.95 50.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.658 HG21 ' CE1' ' A' ' 3' ' ' TYR . 1.2 p -101.95 16.15 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.3 tpm_? -60.59 -14.91 22.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.02 96.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.433 ' HA ' ' HB3' ' A' ' 54' ' ' TYR . 12.0 p -141.41 133.58 27.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -150.47 97.03 2.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.631 ' HA ' HG23 ' A' ' 52' ' ' THR . 11.0 p90 -89.45 158.18 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -161.82 104.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.3 OUTLIER -75.11 -30.8 60.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ARG . . . -34.25 -36.79 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.409 1.068 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -141.51 32.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ASP . 20.4 tp60 35.58 61.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.524 ' CB ' ' HB2' ' A' ' 62' ' ' ARG . 76.9 p -141.11 111.98 7.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.631 HG23 ' HA ' ' A' ' 45' ' ' TYR . 88.2 m -108.98 129.75 55.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -113.21 113.09 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.693 ' HE1' HD13 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -152.66 169.31 23.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.56 152.36 10.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.749 HG23 ' HD1' ' A' ' 57' ' ' PHE . 13.1 tt -54.29 -33.06 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.749 ' HD1' HG23 ' A' ' 56' ' ' ILE . 4.1 m-85 -95.99 10.18 38.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 47.03 84.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 52.5 mt -113.87 147.82 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.183 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' OD1' ' CG ' ' A' ' 53' ' ' ASP . 1.4 m120 -91.43 139.15 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 52' ' ' THR . 3.0 t -92.3 2.64 56.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.524 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -87.51 -15.3 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -122.13 -32.94 3.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.793 ' CD1' HG22 ' A' ' 99' ' ' VAL . 32.6 m-90 -120.05 167.19 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.773 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 59.46 156.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.46 ' HB2' ' CB ' ' A' ' 75' ' ' ASN . 1.8 t-20 -143.34 -164.21 1.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 16.8 t0 -144.59 -54.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.5 -0.2 26.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.439 1.087 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -115.85 -6.19 12.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -124.42 95.13 43.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 57.1 4.5 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.17 -65.66 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.34 134.86 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.368 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 74' ' ' VAL . 11.9 p -98.27 62.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.46 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 14.3 p-10 -48.56 94.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -81.68 -10.84 59.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.509 ' HB3' HD12 ' A' ' 79' ' ' ILE . 5.0 t -89.82 -40.04 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 108.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 69.3 58.87 6.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.773 HD13 ' HA ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -149.87 170.46 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 0.794 . . . . 0.0 109.285 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.516 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 9.9 m-80 -75.88 123.01 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.534 ' HA ' HD12 ' A' ' 84' ' ' LEU . 57.1 m -52.14 -37.56 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 108.391 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -26.63 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -60.19 -17.42 41.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.693 HD13 ' HE1' ' A' ' 54' ' ' TYR . 1.1 mp -99.13 15.94 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 85' ' ' LEU . 12.0 tp -137.36 21.64 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -104.64 -167.15 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.81 -75.25 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.618 ' HB2' HG22 ' A' ' 90' ' ' THR . 0.2 OUTLIER -41.14 122.93 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.091 HG22 ' CZ ' ' A' ' 3' ' ' TYR . 5.7 pt -79.08 -2.72 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.618 HG22 ' HB2' ' A' ' 88' ' ' ASP . 9.6 t -44.61 -36.06 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.48 -38.73 65.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.543 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -63.32 -38.43 91.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.447 ' CG2' ' HG3' ' A' ' 17' ' ' MET . 12.4 mt -73.35 -51.56 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 41.9 tt0 -52.51 -46.72 66.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.75 -48.18 55.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.3 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -48.23 -43.92 32.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 15.6 ptpt -75.31 -41.22 57.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.509 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -61.97 -23.99 66.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.793 HG22 ' CD1' ' A' ' 64' ' ' TRP . 41.1 t -90.13 -57.39 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.0 t -56.17 -26.05 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -19.73 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.497 ' CB ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -74.27 177.55 2.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -74.92 1.82 7.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.57 -64.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.16 158.98 30.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.933 HG13 HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -47.5 -24.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 110' ' ' VAL . 2.8 ttp180 -42.22 -33.59 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.03 -32.7 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.966 ' CD2' HD11 ' A' ' 31' ' ' LEU . 13.9 m-90 -96.55 47.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 107' ' ' ARG . 24.9 t -40.11 -28.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.118 . . . . 0.0 109.384 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.998 ' HB1' ' CD2' ' A' ' 34' ' ' HIS . . . -41.49 -51.22 3.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.675 ' CE3' ' HB2' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -57.93 -42.96 85.93 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -68.15 -8.53 39.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.89 33.22 4.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 0.5 OUTLIER -153.25 -51.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.947 ' SG ' HD22 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -88.92 -47.18 8.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.26 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.27 61.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.677 ' N ' ' O ' ' A' ' 116' ' ' CYS . 2.6 t-20 -155.45 -44.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 -169.58 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.49 101.33 12.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.947 HD22 ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -98.17 18.36 16.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 m -72.93 -18.11 61.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -76.79 -10.25 59.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -30.04 59.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.636 ' CD1' HD12 ' A' ' 25' ' ' LEU . 8.9 pt -98.77 -43.07 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.419 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -61.15 104.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 0.8 OUTLIER 162.42 -27.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -25.08 61.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.89 31.37 2.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.566 0.803 . . . . 0.0 109.375 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.583 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 9.2 t -129.15 133.8 65.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 38.9 m-85 -160.22 116.25 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 5' ' ' ARG . 2.3 pm0 -96.52 170.24 9.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' HA ' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -34.8 -58.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 7' ' ' GLU . 71.8 m -51.87 -78.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 6' ' ' CYS . 4.1 mt-10 -32.39 -65.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.596 ' CD2' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -41.84 -54.96 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 111.069 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -53.5 -53.59 49.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -51.52 -57.47 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASN . 15.5 m -54.42 -53.2 57.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.426 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -47.01 -52.07 15.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -66.52 -29.99 70.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -74.09 -25.05 59.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.2 t-20 -89.4 -39.39 13.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.17 45.59 0.74 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.8 tpp -125.1 -39.18 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.745 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -50.27 109.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.65 34.69 27.47 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.061 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' TYR . 7.3 t80 -50.38 -176.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -34.53 -49.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.18 -61.8 0.14 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.763 HG11 ' CE2' ' A' ' 28' ' ' TRP . 46.4 t -41.11 127.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.597 0.822 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.21 154.06 20.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.745 HD13 ' CB ' ' A' ' 18' ' ' ALA . 26.5 tp -59.79 -45.75 91.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HA ' ' CG2' ' A' ' 125' ' ' ILE . . . -56.35 -45.17 80.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 112' ' ' TRP . 46.1 m-20 -68.33 -33.58 74.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.763 ' CE2' HG11 ' A' ' 23' ' ' VAL . 2.5 m95 -60.87 -55.04 37.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 107.959 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 9' ' ' ALA . 16.5 t -60.14 -53.37 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 109.372 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.499 ' HB2' HD22 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -53.12 -47.96 68.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' CD1' ' CD1' ' A' ' 106' ' ' ILE . 5.8 tt -53.94 -52.32 60.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.98 -26.2 68.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.04 -53.59 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -62.09 -28.01 69.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -74.07 -56.27 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.07 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.94 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 8' ' ' PHE . 2.2 t30 53.89 -164.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.43 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.5 ' N ' ' O ' ' A' ' 3' ' ' TYR . 22.8 m-85 56.77 -113.76 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -88.43 137.63 32.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 1' ' ' LYS . 10.9 p -84.83 54.63 3.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.37 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.678 ' O ' HG23 ' A' ' 43' ' ' THR . 0.4 OUTLIER -98.62 -44.59 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.219 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.505 ' CB ' ' HA3' ' A' ' 55' ' ' GLY . . . -39.54 102.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 41' ' ' ARG . 3.4 p -133.73 139.34 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ASP . 1.6 t-20 -128.76 88.64 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.425 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 1.0 OUTLIER -94.02 159.42 15.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -161.68 104.34 1.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -77.72 -32.91 53.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -44.06 -46.73 8.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -115.27 24.81 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.336 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' ASP . 1.5 tp-100 36.42 61.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.486 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 72.8 m -148.32 147.3 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.431 ' CG2' ' N ' ' A' ' 53' ' ' ASP . 1.7 m -136.56 166.75 22.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -142.63 126.11 16.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.846 ' CE2' HD13 ' A' ' 84' ' ' LEU . 64.0 m-85 -88.07 116.48 26.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.577 ' O ' ' N ' ' A' ' 57' ' ' PHE . . . -60.32 -49.49 78.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.568 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.8 tp -26.99 -41.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -148.09 29.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.622 ' N ' ' O ' ' A' ' 54' ' ' TYR . 6.3 tp-100 37.25 53.06 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' TYR . 37.8 mt -101.37 134.37 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -77.26 128.98 35.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -90.84 4.3 52.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 110.048 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -88.23 -27.08 22.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' HB3' ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -112.06 -31.84 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 63' ' ' TYR . 29.1 m-90 -109.87 152.99 25.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.583 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.5 OUTLIER 61.79 143.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.291 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.471 ' CG ' ' N ' ' A' ' 67' ' ' ASP . 11.8 t30 -80.28 -95.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 66' ' ' ASN . 9.9 t0 173.45 -46.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.96 2.49 80.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -137.8 -46.73 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.753 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.534 HG22 ' HB2' ' A' ' 72' ' ' ARG . 2.7 m -106.47 103.49 46.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 55.29 3.96 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.534 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -120.98 -54.48 2.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.62 138.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 76' ' ' ALA . 7.3 p -90.69 62.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' HB3' ' CA ' ' A' ' 66' ' ' ASN . 27.2 p-10 -38.96 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . -90.08 -15.09 32.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.148 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.639 ' HB3' HD12 ' A' ' 79' ' ' ILE . 8.5 t -89.98 -26.0 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.445 ' C ' ' CG2' ' A' ' 79' ' ' ILE . . . 68.56 55.86 11.07 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.474 1.109 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 77' ' ' CYS . 0.2 OUTLIER -150.86 163.09 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 0.772 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.605 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 7.0 m-80 -76.59 126.64 31.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.419 ' HA ' HD12 ' A' ' 84' ' ' LEU . 18.9 m -50.85 -44.2 59.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 108.266 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 86' ' ' GLN . 0.6 OUTLIER -54.04 -26.53 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.064 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 80' ' ' ASN . . . -62.38 -15.42 48.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.846 HD13 ' CE2' ' A' ' 54' ' ' TYR . 1.3 mt -105.34 14.84 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tp -137.32 28.56 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 82' ' ' SER . 6.9 mt-30 -109.84 -155.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -91.0 -73.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -51.65 142.13 15.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 92' ' ' ALA . 6.0 pt -98.38 5.21 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 t -42.92 -36.13 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.11 -42.6 65.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -60.23 -40.55 90.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.5 mt -70.49 -50.08 48.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 10.4 tt0 -55.73 -46.05 77.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.797 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -69.02 -40.47 78.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 108.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -54.23 -47.46 72.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 16.4 pttt -70.39 -44.06 68.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.444 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 4.0 tpt180 -63.55 -23.11 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.347 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 95' ' ' CYS . 52.6 t -84.13 -58.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -29.59 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -54.41 -24.16 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -72.05 178.32 1.38 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 102' ' ' ASP . 18.3 Cg_endo -75.0 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.584 1.834 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.41 ' O ' ' NH1' ' A' ' 107' ' ' ARG . 9.0 mm-40 -68.78 -61.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.453 ' C ' ' N ' ' A' ' 107' ' ' ARG . . . 79.73 162.63 25.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.539 1.15 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.63 HG13 HG22 ' A' ' 23' ' ' VAL . 1.3 mm -40.92 -28.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.453 ' N ' ' C ' ' A' ' 105' ' ' GLY . 6.8 ttp-105 -40.48 -38.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.66 -38.51 2.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 110' ' ' VAL . 30.7 m-90 -93.31 50.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.014 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 109' ' ' TRP . 11.7 p -34.53 -36.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 115' ' ' HIS . . . -42.27 -57.1 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.644 ' CD1' ' C ' ' A' ' 112' ' ' TRP . 0.7 OUTLIER -52.62 -56.97 11.61 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -46.08 -20.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 112' ' ' TRP . . . -130.77 37.08 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 111' ' ' ALA . 11.5 t60 -151.65 -51.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.613 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.639 ' HB2' ' CD1' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -88.02 -50.08 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 108.285 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -68.58 58.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 116' ' ' CYS . 9.4 t-20 -145.25 -52.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -129.35 -171.7 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.203 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.97 100.52 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 30' ' ' CYS . 1.4 tp -103.75 22.25 14.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.01 -24.54 60.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.059 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.79 -11.86 59.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -75.68 -31.4 59.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.485 HG22 HG21 ' A' ' 29' ' ' VAL . 1.9 pt -100.73 -30.63 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -77.7 125.57 29.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.369 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 126' ' ' ARG . 5.1 t-20 75.87 24.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -83.05 -34.31 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 108.235 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.71 35.43 1.27 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 -179.993 . . . . . . . . 0 0 . 1 stop_ save_